 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer04_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-14464.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14469.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer04_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:39:39 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:39:39 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Thu Aug 12 19:39:40 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0288279819 Hartrees.
 Nuclear repulsion after empirical dispersion term =      411.0192111945 Hartrees.
 Leave Link  301 at Thu Aug 12 19:39:42 2021, MaxMem=  5368709120 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.40D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:39:43 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:39:44 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:39:45 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.456485918771    
 DIIS: error= 1.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.456485918771     IErMin= 1 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-03 BMatP= 4.94D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.248 Goal=   None    Shift=    0.000
 GapD=    0.248 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.67D-02 MaxDP=1.85D+00              OVMax= 2.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.62D-02    CP:  1.16D+00
 E= -402.461154553868     Delta-E=       -0.004668635097 Rises=F Damp=F
 DIIS: error= 2.98D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.461154553868     IErMin= 2 ErrMin= 2.98D-04
 ErrMax= 2.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.04D-05 BMatP= 4.94D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.98D-03
 Coeff-Com:  0.528D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.526D-02 0.995D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=6.49D-04 MaxDP=5.29D-02 DE=-4.67D-03 OVMax= 4.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.53D-04    CP:  1.16D+00  1.03D+00
 E= -402.461072430302     Delta-E=        0.000082123566 Rises=F Damp=F
 DIIS: error= 4.48D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.461154553868     IErMin= 2 ErrMin= 2.98D-04
 ErrMax= 4.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-04 BMatP= 9.04D-05
 IDIUse=3 WtCom= 3.21D-01 WtEn= 6.79D-01
 Coeff-Com: -0.117D-01 0.619D+00 0.393D+00
 Coeff-En:   0.000D+00 0.663D+00 0.337D+00
 Coeff:     -0.376D-02 0.649D+00 0.355D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=8.09D-05 MaxDP=4.87D-03 DE= 8.21D-05 OVMax= 2.59D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.29D-05    CP:  1.16D+00  1.04D+00  9.47D-01
 E= -402.461228855500     Delta-E=       -0.000156425198 Rises=F Damp=F
 DIIS: error= 4.44D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.461228855500     IErMin= 4 ErrMin= 4.44D-05
 ErrMax= 4.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-06 BMatP= 9.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.588D-02 0.258D+00 0.145D+00 0.603D+00
 Coeff:     -0.588D-02 0.258D+00 0.145D+00 0.603D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=3.01D-05 MaxDP=2.04D-03 DE=-1.56D-04 OVMax= 6.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.16D+00  1.04D+00  9.76D-01  1.08D+00
 E= -402.461229975092     Delta-E=       -0.000001119593 Rises=F Damp=F
 DIIS: error= 3.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.461229975092     IErMin= 5 ErrMin= 3.40D-05
 ErrMax= 3.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-06 BMatP= 2.68D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-02 0.329D-01 0.948D-02 0.430D+00 0.529D+00
 Coeff:     -0.149D-02 0.329D-01 0.948D-02 0.430D+00 0.529D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=1.36D-05 MaxDP=7.03D-04 DE=-1.12D-06 OVMax= 3.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.88D-06    CP:  1.16D+00  1.04D+00  9.97D-01  1.13D+00  8.93D-01
 E= -402.461231058207     Delta-E=       -0.000001083115 Rises=F Damp=F
 DIIS: error= 6.47D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.461231058207     IErMin= 6 ErrMin= 6.47D-06
 ErrMax= 6.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-08 BMatP= 1.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.413D-03 0.109D-03-0.444D-02 0.192D+00 0.285D+00 0.528D+00
 Coeff:     -0.413D-03 0.109D-03-0.444D-02 0.192D+00 0.285D+00 0.528D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=3.05D-06 MaxDP=1.55D-04 DE=-1.08D-06 OVMax= 5.78D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.49D-06    CP:  1.16D+00  1.04D+00  1.00D+00  1.14D+00  8.66D-01
                    CP:  9.86D-01
 E= -402.461231113251     Delta-E=       -0.000000055044 Rises=F Damp=F
 DIIS: error= 1.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.461231113251     IErMin= 7 ErrMin= 1.43D-06
 ErrMax= 1.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-09 BMatP= 6.42D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-04-0.332D-02-0.270D-02 0.402D-01 0.690D-01 0.214D+00
 Coeff-Com:  0.683D+00
 Coeff:     -0.222D-04-0.332D-02-0.270D-02 0.402D-01 0.690D-01 0.214D+00
 Coeff:      0.683D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=1.12D-06 MaxDP=1.22D-04 DE=-5.50D-08 OVMax= 1.28D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.66D-07    CP:  1.16D+00  1.04D+00  1.00D+00  1.14D+00  8.79D-01
                    CP:  1.02D+00  9.29D-01
 E= -402.461231115630     Delta-E=       -0.000000002379 Rises=F Damp=F
 DIIS: error= 4.64D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.461231115630     IErMin= 8 ErrMin= 4.64D-07
 ErrMax= 4.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-10 BMatP= 2.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-04-0.101D-02-0.567D-03 0.281D-02 0.641D-02 0.376D-01
 Coeff-Com:  0.231D+00 0.724D+00
 Coeff:      0.126D-04-0.101D-02-0.567D-03 0.281D-02 0.641D-02 0.376D-01
 Coeff:      0.231D+00 0.724D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=2.20D-07 MaxDP=1.12D-05 DE=-2.38D-09 OVMax= 2.84D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.16D+00  1.04D+00  1.00D+00  1.14D+00  8.81D-01
                    CP:  1.02D+00  9.58D-01  9.01D-01
 E= -402.461231115718     Delta-E=       -0.000000000088 Rises=F Damp=F
 DIIS: error= 1.76D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.461231115718     IErMin= 9 ErrMin= 1.76D-07
 ErrMax= 1.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-11 BMatP= 1.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.877D-05-0.280D-03-0.100D-03-0.123D-02-0.142D-02 0.372D-02
 Coeff-Com:  0.668D-01 0.362D+00 0.570D+00
 Coeff:      0.877D-05-0.280D-03-0.100D-03-0.123D-02-0.142D-02 0.372D-02
 Coeff:      0.668D-01 0.362D+00 0.570D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=5.78D-08 MaxDP=4.86D-06 DE=-8.79D-11 OVMax= 1.47D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.46D-08    CP:  1.16D+00  1.04D+00  1.00D+00  1.14D+00  8.81D-01
                    CP:  1.02D+00  9.61D-01  9.34D-01  7.70D-01
 E= -402.461231115693     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 3.27D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -402.461231115718     IErMin=10 ErrMin= 3.27D-08
 ErrMax= 3.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 2.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-05-0.486D-04 0.276D-05-0.881D-03-0.124D-02-0.118D-02
 Coeff-Com:  0.138D-01 0.112D+00 0.248D+00 0.630D+00
 Coeff:      0.265D-05-0.486D-04 0.276D-05-0.881D-03-0.124D-02-0.118D-02
 Coeff:      0.138D-01 0.112D+00 0.248D+00 0.630D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=1.57D-08 MaxDP=2.13D-06 DE= 2.48D-11 OVMax= 2.97D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.96D-09    CP:  1.16D+00  1.04D+00  1.00D+00  1.14D+00  8.81D-01
                    CP:  1.02D+00  9.62D-01  9.44D-01  7.81D-01  9.20D-01
 E= -402.461231115734     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 1.47D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.461231115734     IErMin=11 ErrMin= 1.47D-08
 ErrMax= 1.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-13 BMatP= 1.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.516D-06 0.433D-06 0.890D-05-0.264D-03-0.363D-03-0.683D-03
 Coeff-Com:  0.616D-03 0.180D-01 0.645D-01 0.320D+00 0.598D+00
 Coeff:      0.516D-06 0.433D-06 0.890D-05-0.264D-03-0.363D-03-0.683D-03
 Coeff:      0.616D-03 0.180D-01 0.645D-01 0.320D+00 0.598D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=5.02D-09 MaxDP=6.25D-07 DE=-4.13D-11 OVMax= 1.23D-07

 SCF Done:  E(RB3LYP) =  -402.461231116     A.U. after   11 cycles
            NFock= 11  Conv=0.50D-08     -V/T= 2.0061
 KE= 4.000124808850D+02 PE=-1.761408504568D+03 EE= 5.479155813726D+02
 Leave Link  502 at Thu Aug 12 19:42:05 2021, MaxMem=  5368709120 cpu:            1115.5 elap:             139.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.67234977D+02

 Leave Link  801 at Thu Aug 12 19:42:05 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.32D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 2.27D-01 7.69D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.44D-02 3.43D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.26D-03 9.84D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.76D-05 1.44D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.22D-06 2.43D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.00D-08 3.70D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.76D-10 3.58D-06.
      8 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 2.41D-12 3.42D-07.
      4 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.89D-14 2.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.839288D+02
      2  0.126878D+01  0.857446D+02
      3 -0.162665D+01  0.140936D+01  0.757690D+02
 Isotropic polarizability for W=    0.088559       81.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.751860D+02 -0.295450D+02  0.295760D+02
      2  -0.387923D+02  0.134656D+02 -0.243303D+02
      3  -0.363937D+02  0.160794D+02 -0.524561D+01
      4  -0.186483D+02  0.341204D+02  0.519326D+01
      5   0.203329D+02  0.477882D+01  0.416565D+02
      6   0.887606D+01 -0.166547D+02  0.950212D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.168520D+01 -0.382383D+01 -0.116255D+01
      2   0.161540D+02 -0.223255D+01  0.259888D+02
      3   0.136454D+02 -0.270249D+02  0.235744D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.414443D+00  0.767568D+01  0.657727D+01
      2   0.924305D+01 -0.368280D+01  0.780502D+02
      3   0.108966D+02 -0.729127D+02  0.409724D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.411651D-01 -0.967703D+00 -0.936472D+00
      2  -0.967703D+00 -0.584578D+00  0.901222D+00
      3  -0.936472D+00  0.901222D+00 -0.934562D+00
 OR G Eigenvalues:    -1.6944    -1.2724     1.4065  Iso=     0.5201
 Eigenvectors:
   (1)   0.154213  -0.538313   0.828515
   (2)   0.716150   0.638606   0.281624
   (3)   0.680696  -0.549911  -0.483994
 w=    0.088559 a.u., Optical Rotation Beta=      0.5201 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      225.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 5.11D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.70D-02 4.50D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 4.94D-04 2.83D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 6.83D-06 3.87D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 6.20D-08 2.96D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.06D-10 1.57D-06.
     28 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 3.52D-13 5.73D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   208 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.25D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.839288D+02  0.126878D+01 -0.162665D+01
      2   0.126878D+01  0.857446D+02  0.140936D+01
      3  -0.162665D+01  0.140936D+01  0.757690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.168520D+01 -0.382383D+01 -0.116255D+01
      2   0.161540D+02 -0.223255D+01  0.259888D+02
      3   0.136454D+02 -0.270249D+02  0.235744D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.751860D+02 -0.295450D+02  0.295760D+02
      2  -0.387923D+02  0.134656D+02 -0.243303D+02
      3  -0.363937D+02  0.160794D+02 -0.524561D+01
      4  -0.186483D+02  0.341204D+02  0.519326D+01
      5   0.203329D+02  0.477882D+01  0.416565D+02
      6   0.887606D+01 -0.166547D+02  0.950212D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.664745D+01  0.216709D+01 -0.398521D+01  0.280024D+01  0.100061D+01
      2   0.216709D+01  0.120080D+01  0.544820D-01  0.100061D+01 -0.678514D+01
      3  -0.398521D+01  0.544820D-01  0.201679D+01  0.287888D+00 -0.106038D+01
                 6             7             8             9            10 
      1   0.287888D+00 -0.279303D+01  0.119315D+00  0.253220D+01  0.608269D+01
      2  -0.106038D+01  0.119315D+00  0.153310D+00  0.328952D+01 -0.358799D+01
      3   0.285917D+01  0.253220D+01  0.328952D+01  0.672014D+00  0.337575D+01
                11            12            13            14            15 
      1  -0.358799D+01  0.337575D+01 -0.505932D+01 -0.244507D+01  0.873082D+00
      2  -0.115246D+01  0.170278D+00 -0.244507D+01  0.426686D+01  0.118665D+01
      3   0.170278D+00 -0.291278D+01  0.873082D+00  0.118665D+01 -0.426413D+01
                16            17            18            19            20 
      1   0.625205D+01  0.340816D+00 -0.373107D+01 -0.532834D+01  0.565764D+01
      2   0.340816D+00  0.129597D+01 -0.485345D+01  0.565764D+01  0.245492D+01
      3  -0.373107D+01 -0.485345D+01 -0.995963D+00 -0.252457D+01 -0.132023D+01
                21            22            23            24            25 
      1  -0.252457D+01  0.280235D+01  0.169484D+01 -0.861643D-01 -0.375146D+01
      2  -0.132023D+01  0.169484D+01 -0.155218D+01  0.810402D+00 -0.203439D+01
      3   0.122576D+01 -0.861643D-01  0.810402D+00  0.312741D+01  0.189176D+01
                26            27            28            29            30 
      1  -0.203439D+01  0.189176D+01 -0.111237D+01 -0.300148D+01  0.321076D+00
      2  -0.196302D+01  0.398251D+01 -0.300148D+01  0.165746D+00  0.148489D+01
      3   0.398251D+01  0.393665D+01  0.321076D+00  0.148489D+01  0.184787D-01
                31            32            33            34            35 
      1  -0.298891D+01 -0.119923D+01  0.280093D+01 -0.234945D+01  0.229666D+01
      2  -0.119923D+01 -0.980540D+00  0.143207D+01  0.229666D+01  0.102624D+01
      3   0.280093D+01  0.143207D+01 -0.348334D+01  0.934078D+00 -0.237786D+01
                36            37            38            39            40 
      1   0.934078D+00  0.374089D+01  0.172956D+01 -0.303164D+01  0.126873D+01
      2  -0.237786D+01  0.172956D+01  0.259648D+01 -0.184624D+01  0.174463D+01
      3  -0.310394D+01 -0.303164D+01 -0.184624D+01  0.121457D+01 -0.233582D+01
                41            42            43            44            45 
      1   0.174463D+01 -0.233582D+01 -0.441014D+01 -0.342264D+01  0.565704D+00
      2  -0.261695D+01 -0.270924D+01 -0.342264D+01 -0.462056D+01 -0.124810D+00
      3  -0.270924D+01  0.735295D+00  0.565704D+00 -0.124810D+00 -0.262709D+01
                46            47            48            49            50 
      1  -0.682187D+01  0.340580D+01 -0.215512D+01  0.220130D+01  0.206594D+01
      2   0.340580D+01  0.162186D+01  0.137475D+00  0.206594D+01 -0.324946D+01
      3  -0.215512D+01  0.137475D+00  0.288837D+01 -0.222420D+00 -0.413563D+00
                51            52            53            54            55 
      1  -0.222420D+00 -0.264827D+01  0.154793D-01  0.243189D+01  0.444428D+01
      2  -0.413563D+00  0.154793D-01  0.143354D+00  0.482129D+01 -0.271158D+01
      3   0.385647D+01  0.243189D+01  0.482129D+01  0.335832D+01  0.282381D+01
                56            57            58            59            60 
      1  -0.271158D+01  0.282381D+01 -0.150769D+01  0.468270D+00 -0.393020D+00
      2   0.113226D+01 -0.646786D-01  0.468270D+00  0.328238D+01 -0.147789D+01
      3  -0.646786D-01  0.152294D+01 -0.393020D+00 -0.147789D+01 -0.140999D+01
                61            62            63            64            65 
      1   0.295197D+01 -0.512269D+00  0.181580D+01 -0.347618D+01  0.197341D+01
      2  -0.512269D+00 -0.177758D+01 -0.104469D+01  0.197341D+01 -0.169445D+01
      3   0.181580D+01 -0.104469D+01 -0.336481D+01  0.299245D+01 -0.736876D+00
                66            67            68            69            70 
      1   0.299245D+01  0.321048D+01 -0.115155D+01 -0.137580D+01  0.484189D+01
      2  -0.736876D+00 -0.115155D+01  0.385759D+01  0.147729D+01 -0.580285D+00
      3  -0.175805D+01 -0.137580D+01  0.147729D+01  0.270410D+01 -0.298844D+01
                71            72            73            74            75 
      1  -0.580285D+00 -0.298844D+01  0.346111D+00 -0.798831D+00 -0.992096D+00
      2   0.299528D+01  0.189079D+01 -0.798831D+00 -0.252849D+00 -0.132015D-01
      3   0.189079D+01  0.787447D+01 -0.992096D+00 -0.132015D-01 -0.597710D+00
                76            77            78            79            80 
      1  -0.113567D+01 -0.301969D+00 -0.214223D+00 -0.101825D+01  0.159807D+00
      2  -0.301969D+00 -0.798107D+00 -0.162661D+01  0.159807D+00 -0.167493D+01
      3  -0.214223D+00 -0.162661D+01 -0.205240D+01 -0.991384D+00 -0.164743D+01
                81            82            83            84            85 
      1  -0.991384D+00  0.326904D+01  0.155187D+01 -0.257275D+01  0.263692D+01
      2  -0.164743D+01  0.155187D+01  0.170109D+01 -0.747833D+00  0.175064D+01
      3  -0.772237D+01 -0.257275D+01 -0.747833D+00  0.267274D+01 -0.966875D+00
                86            87            88            89            90 
      1   0.175064D+01 -0.966875D+00 -0.378079D+01 -0.781951D+00  0.288075D+01
      2   0.141044D+01 -0.150999D+01 -0.781951D+00 -0.187577D+01  0.190227D+01
      3  -0.150999D+01  0.204687D+01  0.288075D+01  0.190227D+01 -0.401081D+01
                91            92            93            94            95 
      1  -0.583629D+01 -0.423621D+01  0.177057D+01 -0.254466D+01 -0.275820D+01
      2  -0.423621D+01 -0.440304D+01  0.136901D+01 -0.275820D+01 -0.429089D+01
      3   0.177057D+01  0.136901D+01 -0.156407D+01  0.903686D+00  0.999902D+00
                96            97            98            99           100 
      1   0.903686D+00  0.374058D+01  0.300091D+01 -0.224921D+01 -0.498092D+01
      2   0.999902D+00  0.300091D+01  0.347226D+01 -0.193055D+01  0.332893D+01
      3  -0.104350D+01 -0.224921D+01 -0.193055D+01  0.182070D+01 -0.293214D+01
               101           102           103           104           105 
      1   0.332893D+01 -0.293214D+01  0.218781D+01 -0.163644D+01  0.823883D+00
      2  -0.267999D+01  0.162226D+01 -0.163644D+01  0.242191D+01 -0.100219D+01
      3   0.162226D+01 -0.215811D+01  0.823883D+00 -0.100219D+01  0.802140D+00
               106           107           108           109           110 
      1  -0.385814D+01  0.160018D+01 -0.222295D+01 -0.218688D-01  0.711632D+00
      2   0.160018D+01 -0.216869D+01  0.160666D+01  0.711632D+00 -0.394297D+00
      3  -0.222295D+01  0.160666D+01 -0.245840D+01  0.606683D-01 -0.533106D+00
               111           112           113           114           115 
      1   0.606683D-01  0.938143D+00 -0.403568D+00 -0.610036D+00  0.123473D+01
      2  -0.533106D+00 -0.403568D+00  0.290643D+01  0.106256D+01 -0.573682D+00
      3   0.670327D-01 -0.610036D+00  0.106256D+01  0.203323D+01 -0.126770D+00
               116           117           118           119           120 
      1  -0.573682D+00 -0.126770D+00  0.922006D-01 -0.870599D+00 -0.778233D+00
      2   0.326803D+01  0.178223D+01 -0.870599D+00 -0.981713D+00 -0.552710D+00
      3   0.178223D+01  0.367565D+01 -0.778233D+00 -0.552710D+00 -0.119634D+01
               121           122           123           124           125 
      1  -0.644301D+00 -0.286520D+00 -0.114763D+00 -0.116954D+01  0.119302D+00
      2  -0.286520D+00 -0.240716D+01 -0.202191D+01  0.119302D+00 -0.346538D+01
      3  -0.114763D+00 -0.202191D+01 -0.242140D+01 -0.572901D+00 -0.359326D+01
               126           127           128           129           130 
      1  -0.572901D+00  0.938478D+01 -0.362940D+01  0.915055D+00 -0.165994D+01
      2  -0.359326D+01 -0.362940D+01  0.274619D+01 -0.148394D+00  0.160704D+01
      3  -0.656771D+01  0.915055D+00 -0.148394D+00  0.103521D+01 -0.108627D+00
               131           132           133           134           135 
      1   0.160704D+01 -0.108627D+00  0.131873D+01 -0.508069D+00  0.984376D+00
      2  -0.112709D+01  0.196669D+00 -0.508069D+00  0.583469D+00 -0.945971D+00
      3   0.196669D+00 -0.472341D+00  0.984376D+00 -0.945971D+00  0.134853D+00
               136           137           138           139           140 
      1  -0.150564D+01 -0.112033D+01  0.121353D+01 -0.110454D+01 -0.907005D+00
      2  -0.112033D+01 -0.206560D+01  0.766246D+00 -0.907005D+00 -0.289446D+01
      3   0.121353D+01  0.766246D+00 -0.167788D+01  0.527725D+00  0.137432D+01
               141           142           143           144           145 
      1   0.527725D+00  0.167857D+01  0.462898D+00 -0.119447D+01  0.650014D+00
      2   0.137432D+01  0.462898D+00  0.276024D+01 -0.217989D+01  0.874334D+00
      3  -0.171647D+01 -0.119447D+01 -0.217989D+01  0.259961D+01  0.428300D+00
               146           147           148           149           150 
      1   0.874334D+00  0.428300D+00  0.138376D+01  0.313349D+00  0.544173D+00
      2  -0.123483D+00 -0.400996D-01  0.313349D+00  0.884685D+01  0.167248D+01
      3  -0.400996D-01 -0.365084D+00  0.544173D+00  0.167248D+01  0.177255D+01
               151           152           153           154           155 
      1   0.824807D-01  0.689638D-01 -0.316520D+00 -0.164860D+01 -0.777234D+00
      2   0.689638D-01  0.586026D+00  0.746899D+00 -0.777234D+00 -0.107872D+01
      3  -0.316520D+00  0.746899D+00  0.340603D+00  0.150716D+01  0.420046D+00
               156           157           158           159           160 
      1   0.150716D+01 -0.117486D+01 -0.638459D+00  0.285137D+00  0.172068D+01
      2   0.420046D+00 -0.638459D+00 -0.446638D+00  0.111489D+01  0.376957D+00
      3  -0.274934D+01  0.285137D+00  0.111489D+01 -0.213735D+01 -0.129905D+01
               161           162           163           164           165 
      1   0.376957D+00 -0.129905D+01  0.936951D+01 -0.666612D+00  0.356338D+01
      2   0.107479D+01 -0.916849D+00 -0.666612D+00  0.120725D+01 -0.213138D-01
      3  -0.916849D+00  0.495676D+01  0.356338D+01 -0.213138D-01  0.231749D+01
               166           167           168           169           170 
      1  -0.160985D+01  0.108269D+01 -0.618758D+00  0.195740D+01 -0.148004D+00
      2   0.108269D+01  0.156146D+00  0.494557D+00 -0.148004D+00  0.186975D+00
      3  -0.618758D+00  0.494557D+00 -0.936320D+00  0.165621D+01 -0.407421D+00
               171 
      1   0.165621D+01
      2  -0.407421D+00
      3   0.148148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.625801D+01  0.169856D+01 -0.119605D+01  0.373921D+00 -0.110697D+02
      2   0.388764D+00 -0.237446D+01  0.135636D+02 -0.264015D+01 -0.361820D+01
      3  -0.894011D+01 -0.317620D+01 -0.341539D+01  0.167366D+01  0.134849D+02
                 6             7             8             9            10 
      1  -0.720895D+01 -0.138768D+01 -0.793210D+00  0.373608D+01  0.151320D+01
      2   0.531104D+01  0.766037D+01  0.638168D+01 -0.216283D+01  0.116053D+02
      3   0.202653D+01 -0.232785D+01 -0.488458D+00 -0.423352D+01  0.524798D+01
                11            12            13            14            15 
      1  -0.140255D+00 -0.510519D+00 -0.151066D+01 -0.905000D+00 -0.340838D+01
      2   0.137462D+00 -0.272290D+00 -0.382277D+01  0.763097D+00 -0.419872D+01
      3  -0.540875D+00 -0.218441D+01  0.583915D+01 -0.783389D+01  0.983432D+00
                16            17            18            19            20 
      1  -0.532987D+00  0.288591D+01  0.103403D+01 -0.384847D+01 -0.334711D+01
      2  -0.344621D+01 -0.478321D+01 -0.363470D+01 -0.647693D+01  0.927526D+00
      3   0.341366D+01  0.676692D+00  0.547489D+01 -0.726664D+00 -0.123036D+01
                21            22            23            24            25 
      1  -0.436154D+00 -0.105199D+01  0.534587D+01 -0.279534D+01  0.741531D+00
      2   0.112785D+01  0.117532D+01 -0.104864D+01  0.226496D+01 -0.105503D+02
      3   0.182872D+01  0.255010D+01 -0.123697D+01  0.167543D+01 -0.203228D+01
                26            27            28            29            30 
      1   0.384111D+01 -0.537625D+01  0.152634D+01  0.533007D+01  0.278407D+01
      2  -0.517998D+00  0.248105D+00 -0.104143D+02 -0.438446D+01  0.253915D+01
      3   0.603226D+00  0.897835D+00 -0.908651D+01 -0.460766D+01  0.103707D+01
                31            32            33            34            35 
      1   0.270276D+01 -0.601102D+01 -0.143496D+01  0.101591D+01  0.252950D-01
      2   0.229320D+01  0.217035D+01 -0.119700D+01 -0.501782D+01 -0.205909D+01
      3   0.232934D+01  0.568258D+01 -0.531785D+01 -0.642305D+01 -0.132161D+02
                36            37            38            39            40 
      1   0.434101D+01 -0.333374D+01 -0.102109D+01  0.573735D-01 -0.894691D+00
      2   0.122628D+02  0.517505D+01  0.420028D+01 -0.542928D+00 -0.622315D+00
      3   0.106807D+00 -0.585368D+00  0.826205D+00  0.259657D+00  0.630407D+01
                41            42            43            44            45 
      1   0.162447D+00 -0.460367D+01  0.374464D+01  0.479983D+01 -0.539518D+01
      2   0.378517D+01  0.304972D+00 -0.480070D+01  0.536077D+00  0.520790D+01
      3  -0.605361D+01 -0.203020D+01  0.160676D+01 -0.804569D+00 -0.299777D+01
                46            47            48            49            50 
      1  -0.538712D+01 -0.639064D+00  0.554688D+01 -0.111773D+01  0.115478D+01
      2  -0.687460D+01  0.890732D+00  0.588383D+01  0.205750D+00  0.308787D+00
      3   0.595626D+01 -0.136397D+02  0.368959D+01 -0.692521D+01  0.251002D+01
                51            52            53            54            55 
      1   0.609858D+01  0.329308D+01  0.126551D+02  0.529899D+01 -0.375932D+01
      2   0.634528D+01  0.131366D+01  0.838256D+01  0.623984D+01  0.574143D+01
      3   0.804278D+00  0.458032D+01 -0.263400D-01 -0.134339D+02  0.101829D+02
                56            57            58            59            60 
      1   0.116191D+01 -0.561084D+01  0.825051D-01 -0.188049D+01  0.366165D+00
      2  -0.160994D+01  0.517797D+01 -0.138395D+00  0.216747D+01 -0.349771D+00
      3  -0.112956D+02  0.720724D+01  0.139202D+01  0.347062D+01 -0.121885D+01
                61            62            63            64            65 
      1  -0.539267D+01  0.101595D+02  0.100109D+02  0.471657D+00 -0.431658D+01
      2   0.646276D+00  0.937325D+00  0.204979D+01  0.237357D+00  0.245304D+01
      3   0.464626D+01 -0.190812D+01  0.474871D+01  0.335838D+01 -0.566915D+01
                66            67            68            69            70 
      1   0.156452D+00 -0.102747D+01  0.306074D+01 -0.137651D+01 -0.211579D+00
      2   0.516195D+01  0.649085D+00 -0.444494D+01 -0.213950D+01 -0.207564D+01
      3  -0.138853D+01  0.190876D+01  0.473463D+01  0.433790D+01  0.535316D+01
                71            72            73            74            75 
      1   0.736854D+01  0.564380D-01  0.113634D+01  0.432731D+00  0.452116D+00
      2  -0.310414D+01 -0.142628D+02  0.875722D-01 -0.495805D+00 -0.744539D-01
      3   0.930336D+01  0.232449D+01 -0.541124D-01 -0.130799D+01 -0.879611D+00
                76            77            78            79            80 
      1   0.223183D+00  0.202150D+01  0.116702D+01 -0.149357D+00  0.517689D+01
      2  -0.161903D+01 -0.119986D+00 -0.198681D+00 -0.299964D+01  0.393849D+00
      3   0.147200D+01 -0.422928D+00 -0.790662D+00  0.617846D+00 -0.360806D+00
                81            82            83            84            85 
      1   0.309914D+01 -0.683214D+00 -0.180030D+01 -0.256852D+00 -0.350081D+00
      2  -0.179760D+00 -0.107667D+01 -0.150055D+00  0.417079D+01  0.189189D+01
      3  -0.118286D+01 -0.140852D+01 -0.418523D+01  0.743891D+00  0.842199D+00
                86            87            88            89            90 
      1  -0.886055D+00 -0.921453D+00 -0.168589D+00  0.259206D+01 -0.168550D+00
      2  -0.924966D+00  0.292610D+01 -0.142262D+01  0.234581D+01 -0.427843D+01
      3  -0.226554D+01  0.171119D+01 -0.143740D+01  0.321753D+01 -0.177383D+01
                91            92            93            94            95 
      1   0.366957D+01  0.229687D+01 -0.350776D+01  0.272031D+01  0.274292D+01
      2  -0.289564D+01 -0.311781D+01  0.387125D+01 -0.213092D+01 -0.303940D+01
      3   0.191184D+01 -0.291541D+01 -0.749665D+00  0.759192D+00 -0.315662D+01
                96            97            98            99           100 
      1  -0.240584D+01 -0.323946D+01 -0.175270D+01  0.346792D+01  0.320475D+01
      2   0.285017D+01  0.323785D+01  0.358760D+01 -0.481112D+01 -0.582389D+01
      3   0.397421D+00 -0.672272D+00  0.328677D+01 -0.533630D+00 -0.112839D+02
               101           102           103           104           105 
      1  -0.144459D-01  0.407142D+01 -0.341402D+00 -0.565171D+00 -0.141486D+01
      2   0.252811D+01 -0.511223D+00  0.216853D+01 -0.146406D+01  0.185338D+00
      3   0.458099D+01 -0.640795D+01  0.584003D+01 -0.249646D+01  0.166765D+01
               106           107           108           109           110 
      1   0.312836D+01 -0.482124D-01  0.289498D+01 -0.103215D+01  0.112529D+01
      2  -0.447979D+01  0.113513D+01 -0.102914D+01 -0.597258D-01  0.435208D+00
      3  -0.900407D+01  0.244492D+01 -0.450023D+01  0.882444D-02 -0.904297D-01
               111           112           113           114           115 
      1   0.892817D+00  0.173943D+01 -0.566808D+01 -0.646945D+01  0.133284D+01
      2  -0.820384D-01  0.489844D+00 -0.109029D+01 -0.127700D+01 -0.150863D+01
      3   0.819617D+00  0.211998D+01 -0.677650D+00 -0.643657D+00  0.431740D+01
               116           117           118           119           120 
      1  -0.605485D+01 -0.132246D+02 -0.703433D+00  0.245260D+00 -0.248777D+01
      2  -0.134232D+01 -0.150012D+01 -0.166983D+01 -0.112636D+01 -0.157119D+01
      3   0.402350D-01 -0.131921D+00  0.225440D+01  0.233943D+01  0.204313D+01
               121           122           123           124           125 
      1  -0.502094D-01 -0.174314D+01 -0.513934D+01 -0.173080D+01 -0.165184D+01
      2  -0.120001D+01 -0.342452D+01 -0.395317D+01 -0.426525D+01 -0.519377D+01
      3   0.338743D+01  0.442068D+01  0.394763D+01  0.316006D+01  0.556115D+01
               126           127           128           129           130 
      1  -0.110313D+02  0.320313D+01 -0.935876D+00  0.284736D+01 -0.101676D+01
      2  -0.104711D+02  0.485905D+01 -0.130776D+01  0.499571D+01 -0.622494D+00
      3   0.779252D+01 -0.110376D+02 -0.223825D+01 -0.165607D+01  0.234504D+01
               131           132           133           134           135 
      1   0.816101D+00 -0.197307D+01  0.153204D+01 -0.728636D+00  0.835351D+00
      2   0.119585D+01 -0.146641D+01  0.118510D+01 -0.173336D+01  0.978469D+00
      3  -0.453641D+00 -0.290504D+00 -0.195551D+01 -0.767474D+00  0.587455D+00
               136           137           138           139           140 
      1   0.291504D+01  0.137067D+01 -0.431443D+01  0.166815D+01  0.320976D+01
      2   0.295607D+01  0.980009D+00 -0.159160D+01  0.137730D+01  0.210127D+01
      3   0.716903D+01  0.486596D+01 -0.414398D+01  0.624337D+01  0.644117D+01
               141           142           143           144           145 
      1  -0.541190D+01 -0.279186D+01 -0.269420D+01  0.630171D+01  0.770258D+00
      2  -0.226254D+01 -0.380329D+01 -0.331914D+01  0.342970D+01  0.107268D+01
      3  -0.418326D+01 -0.561790D+01 -0.527440D+01  0.656020D+01 -0.123721D+01
               146           147           148           149           150 
      1  -0.104174D+01  0.726266D+00 -0.136883D+01  0.119577D+02 -0.274342D+01
      2  -0.981478D+00 -0.586198D+00 -0.165060D+01  0.370951D+01  0.269045D+01
      3   0.714176D+00  0.587689D-01  0.432545D+01 -0.163809D+02 -0.158958D+01
               151           152           153           154           155 
      1   0.877072D+00  0.852012D+00  0.731365D+00 -0.246005D+01 -0.303345D+01
      2  -0.185759D+01  0.127964D+01  0.597635D+00  0.841829D+01  0.249737D+01
      3  -0.192923D+00 -0.504159D+00 -0.199250D+01  0.483437D+00  0.439957D+00
               156           157           158           159           160 
      1   0.203402D+01 -0.118870D+01 -0.191068D+01  0.167788D+01  0.202119D+01
      2  -0.643449D+01  0.314014D+01  0.303545D+01 -0.406287D+01 -0.813485D+01
      3   0.494975D+00  0.150942D+01 -0.109965D-01 -0.150164D+01  0.270821D+00
               161           162           163           164           165 
      1   0.455220D+01 -0.462061D+01 -0.346078D+01  0.262854D+01 -0.124838D+01
      2  -0.283822D+01  0.107057D+02 -0.606244D+01  0.120421D+01  0.305787D+01
      3  -0.787191D+00  0.384912D+00  0.715237D+01 -0.574250D+01  0.193798D+01
               166           167           168           169           170 
      1   0.122061D+01 -0.538306D+00  0.113878D+00 -0.144709D+01  0.168795D+01
      2   0.105561D+01 -0.619428D-01 -0.177264D+01 -0.164479D+01 -0.723190D+00
      3  -0.195219D+01  0.879337D+00 -0.798449D+00  0.169698D+01 -0.996302D+00
               171 
      1  -0.128645D+01
      2   0.142330D+01
      3   0.190229D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.291221D+02  0.979628D+01 -0.249527D+02  0.121979D+02  0.115509D+02
      2   0.246261D+02 -0.356991D+01  0.532330D+01 -0.626973D+01 -0.173690D+02
      3   0.449603D+01 -0.622637D+01  0.196294D+02 -0.592820D+01  0.581816D+01
      4   0.404823D+01  0.556161D+01 -0.125345D+01  0.478918D+01 -0.217794D+02
      5  -0.264724D+02  0.523100D+01 -0.378850D+01  0.737337D+01 -0.164056D+01
      6   0.231686D+01  0.285055D+01 -0.190313D+00  0.164878D+01 -0.108580D+02
                 6             7             8             9            10 
      1  -0.225661D+01 -0.185331D+02 -0.293218D+01  0.662888D+01  0.869469D+01
      2  -0.871714D+01  0.408801D+01 -0.656336D+01 -0.156857D+01 -0.377949D+01
      3   0.109738D+02  0.144451D+02  0.949554D+01 -0.506031D+01 -0.491520D+01
      4  -0.292547D+01 -0.145896D+00  0.773948D+00  0.119927D+02 -0.134365D+02
      5   0.743962D+01 -0.110173D+01  0.920046D+01  0.752555D+01  0.182478D+02
      6   0.104267D+01  0.185879D+01  0.317499D+00  0.827136D+01  0.587892D+01
                11            12            13            14            15 
      1  -0.135372D+02  0.147537D+02 -0.102573D+02 -0.249705D+01  0.315235D+01
      2   0.124701D+02 -0.827736D+01  0.116274D+02 -0.415223D+01 -0.964077D+00
      3   0.106711D+01 -0.647633D+01 -0.137006D+01  0.664928D+01 -0.218827D+01
      4  -0.237560D+01  0.226585D+01 -0.526774D+01  0.128466D+02  0.489512D+01
      5   0.292842D+01 -0.104297D+02 -0.593351D+00  0.781390D+01 -0.131436D+02
      6  -0.124122D+01 -0.488122D+00  0.173890D+01 -0.290514D+01 -0.170008D+01
                16            17            18            19            20 
      1   0.112195D+02  0.118021D+01 -0.130036D+02 -0.133480D+02 -0.839140D+01
      2  -0.769445D+01 -0.289990D+01  0.959754D+01  0.990017D+01  0.890817D+01
      3  -0.352504D+01  0.171969D+01  0.340603D+01  0.344782D+01 -0.516768D+00
      4  -0.214405D+01 -0.125989D+01 -0.135574D+02 -0.189632D+00 -0.473274D+01
      5  -0.123239D+02 -0.140831D+02  0.703815D+00 -0.687999D+01 -0.230110D+00
      6  -0.286993D+01  0.953808D+00  0.906019D+00 -0.786632D+01 -0.557305D+01
                21            22            23            24            25 
      1   0.415787D+01  0.280276D+01  0.971178D+01  0.252320D+01  0.135239D+01
      2   0.118625D+01 -0.146683D+01 -0.127593D+02  0.689980D+01  0.140847D+01
      3  -0.534412D+01 -0.133592D+01  0.304749D+01 -0.942300D+01 -0.276086D+01
      4   0.496161D+00 -0.105428D+02 -0.468811D+01  0.263590D+01  0.734656D+01
      5   0.371319D-01  0.593313D+01 -0.516796D+00  0.392494D+00  0.238641D+01
      6   0.250723D+01  0.273309D+01  0.104521D+02 -0.827908D+01 -0.153261D-01
                26            27            28            29            30 
      1   0.872411D+01  0.772605D+01  0.103003D+01  0.337809D+01 -0.168320D+01
      2   0.370473D+01  0.111151D+02  0.103659D+01 -0.314638D+01 -0.736841D+01
      3  -0.124288D+02 -0.188412D+02 -0.206662D+01 -0.231705D+00  0.905162D+01
      4   0.397252D+01 -0.217435D+01  0.643010D+01  0.649465D+00 -0.915191D+01
      5  -0.202156D+01 -0.478302D+01  0.425344D+01 -0.787274D+01 -0.373400D+01
      6   0.202650D+01 -0.562944D+01 -0.371464D+01 -0.231091D+01  0.208357D+01
                31            32            33            34            35 
      1   0.843156D+01  0.621668D+01 -0.776978D+01  0.978780D+01 -0.501466D+01
      2  -0.730781D+01 -0.101882D+02  0.100853D+02 -0.100594D+02 -0.234623D+01
      3  -0.112375D+01  0.397153D+01 -0.231554D+01  0.271627D+00  0.736088D+01
      4  -0.147376D+01  0.167750D+00 -0.668949D+01 -0.135455D+02  0.259763D+01
      5  -0.201313D+02 -0.610335D+01  0.559131D+01 -0.118743D+02  0.440097D+01
      6  -0.591255D+01 -0.896364D+01 -0.403434D+00 -0.263966D+00 -0.276908D+01
                36            37            38            39            40 
      1  -0.136151D+01 -0.340508D+01 -0.228700D+01  0.891438D+01 -0.570315D+01
      2   0.910183D+01 -0.325469D+00 -0.139440D+01 -0.189402D+01  0.298550D+01
      3  -0.774032D+01  0.373055D+01  0.368140D+01 -0.702035D+01  0.271766D+01
      4   0.625344D+01 -0.951372D+01 -0.594540D+01  0.130990D+02  0.208452D+01
      5   0.191384D+02  0.133110D+02  0.920082D+01  0.153584D+01  0.125277D+02
      6  -0.358161D+01  0.873213D+01  0.793505D+01 -0.190485D+01  0.759314D+01
                41            42            43            44            45 
      1  -0.177340D+02  0.449086D+01  0.129023D+02  0.705658D+01 -0.487395D+01
      2   0.258486D+02  0.363272D+00 -0.185798D+01  0.325656D+01 -0.314430D+00
      3  -0.811463D+01 -0.485413D+01 -0.110443D+02 -0.103131D+02  0.518838D+01
      4   0.777015D+01  0.118465D+02  0.206843D+02  0.186230D+02 -0.122409D+01
      5   0.124027D+02  0.196728D+01  0.259447D+01  0.248930D+01  0.111085D+02
      6   0.101278D+02  0.601866D+01 -0.131644D+01  0.704407D+01  0.871744D+01
                46            47            48            49            50 
      1  -0.282799D+02  0.228093D+02 -0.904609D+01  0.145060D+02  0.123661D+01
      2   0.708551D+01 -0.160386D+02  0.786788D+01 -0.123078D+02  0.105121D+02
      3   0.211944D+02 -0.677074D+01  0.117821D+01 -0.219818D+01 -0.117487D+02
      4   0.282991D+02 -0.641043D+01  0.675632D+01 -0.327421D+01 -0.137392D+02
      5  -0.571764D+01  0.656631D+00  0.886738D+01  0.553595D+00 -0.394974D+01
      6   0.545946D+01  0.193431D+01 -0.115471D+02  0.235083D-03  0.292872D+01
                51            52            53            54            55 
      1   0.146361D+01 -0.102256D+02  0.284605D+01  0.222375D+02  0.950995D+01
      2   0.466689D+01  0.739099D+01  0.491699D+01 -0.147045D+02 -0.460061D+01
      3  -0.613050D+01  0.283463D+01 -0.776304D+01 -0.753298D+01 -0.490934D+01
      4  -0.899771D+00  0.807824D+01  0.162261D+01  0.504302D+01  0.162511D+02
      5   0.105264D+02  0.779368D+01  0.124381D+02  0.932781D+01 -0.103371D+02
      6  -0.148992D+02 -0.797515D+01 -0.172670D+02 -0.121610D+02  0.136772D+02
                56            57            58            59            60 
      1   0.354186D+01 -0.429970D+01 -0.102857D+01 -0.181882D+02  0.556606D+01
      2  -0.166131D+00  0.529158D+01  0.456856D+01  0.297687D+02 -0.107045D+02
      3  -0.337572D+01 -0.991888D+00 -0.353998D+01 -0.115805D+02  0.513846D+01
      4  -0.562261D+01  0.973233D+01  0.285087D+01  0.789431D+01 -0.204499D+01
      5   0.619730D+01 -0.476077D+01  0.198314D+01 -0.236028D+01  0.118841D+01
      6  -0.229799D+01  0.683864D+01 -0.426916D+01 -0.160825D+02  0.299089D+01
                61            62            63            64            65 
      1  -0.327054D+00  0.794266D+01 -0.585734D+01  0.223309D+02 -0.321933D+01
      2   0.442678D+01 -0.114159D+02 -0.961052D+01 -0.166150D+02  0.113271D+01
      3  -0.409973D+01  0.347322D+01  0.154679D+02 -0.571585D+01  0.208662D+01
      4   0.783873D+01  0.990388D+00  0.917215D+01 -0.963763D+01  0.117578D+02
      5  -0.231675D+01  0.394888D+01 -0.393374D+01 -0.171652D+02  0.661025D+01
      6   0.919813D+01 -0.311875D+00 -0.143668D+02  0.362000D+01 -0.152466D+01
                66            67            68            69            70 
      1  -0.925384D+01 -0.860758D+01 -0.274644D+01  0.226378D+01 -0.114741D+02
      2   0.114445D+02  0.565785D+01  0.408337D+01 -0.625741D+01  0.115423D+02
      3  -0.219061D+01  0.294972D+01 -0.133693D+01  0.399364D+01 -0.682099D-01
      4   0.583317D+01  0.108681D+02 -0.119790D+02 -0.692818D+01  0.681195D+01
      5   0.161717D+02  0.100118D+02 -0.672469D+01 -0.819386D+01  0.222325D+02
      6  -0.377424D+01 -0.331622D+01  0.415950D+01  0.100783D+02 -0.202212D+01
                71            72            73            74            75 
      1  -0.272009D+01 -0.271824D+01  0.742695D+00  0.809093D+00 -0.783421D-01
      2   0.138480D+00 -0.231080D+02 -0.463484D+01 -0.111568D+01 -0.221626D+01
      3   0.258161D+01  0.258262D+02  0.389214D+01  0.306583D+00  0.229460D+01
      4  -0.113343D+02 -0.952325D+01  0.176748D+00  0.227115D+01  0.409917D+00
      5  -0.688258D+01 -0.307351D+02  0.260006D+01  0.138247D+01  0.720964D+01
      6   0.812122D+01  0.759096D+01  0.142149D+01  0.519413D-01  0.305972D+00
                76            77            78            79            80 
      1   0.299239D+00 -0.459378D+01 -0.497155D+01 -0.130472D+01 -0.292572D+01
      2  -0.869354D+00 -0.664465D+00 -0.365786D+01 -0.165214D+01 -0.482046D+01
      3   0.570114D+00  0.525824D+01  0.862941D+01  0.295686D+01  0.774618D+01
      4   0.214233D+01  0.177196D+00  0.373038D+00 -0.195033D+00  0.529828D+00
      5   0.214072D+00  0.727990D+00  0.192097D+01  0.517992D+01  0.115554D+01
      6   0.388254D+00  0.351207D+01  0.744203D+01 -0.980507D-01  0.610740D+01
                81            82            83            84            85 
      1  -0.182652D+02  0.177221D+02  0.669463D+01 -0.104346D+02  0.631622D+01
      2  -0.175236D+02 -0.118897D+02 -0.479353D+01  0.775056D+01 -0.367609D+01
      3   0.357888D+02 -0.583233D+01 -0.190110D+01  0.268409D+01 -0.264013D+01
      4   0.165385D+00  0.995656D+01  0.917167D+01 -0.502030D+01  0.977307D+01
      5   0.607269D+01 -0.166340D+02 -0.548749D+01  0.156629D+02 -0.587195D+01
      6   0.378319D+01 -0.384609D+01 -0.257539D+01  0.317920D+01 -0.401154D+01
                86            87            88            89            90 
      1   0.283499D+01 -0.255445D+01 -0.839461D+01 -0.188490D+01  0.506775D+01
      2  -0.826101D-01  0.124941D+01  0.897417D+01  0.376936D+01 -0.119412D+02
      3  -0.275238D+01  0.130505D+01 -0.579567D+00 -0.188447D+01  0.687345D+01
      4   0.739780D+01 -0.680780D+01 -0.417771D+01 -0.599945D+01  0.740138D+01
      5  -0.706513D+01  0.836685D+01  0.164957D+02  0.793182D+01 -0.195004D+02
      6  -0.466009D+01  0.640457D+01  0.358623D+01  0.531199D+01 -0.612691D+01
                91            92            93            94            95 
      1   0.232488D+02  0.135902D+02 -0.720081D+01  0.479829D+01  0.323998D+01
      2  -0.641483D+01 -0.107453D+01  0.219409D+01  0.323337D+01  0.731626D+01
      3  -0.168340D+02 -0.125157D+02  0.500672D+01 -0.803165D+01 -0.105562D+02
      4   0.265489D+02  0.227447D+02 -0.821194D+01  0.160496D+02  0.193602D+02
      5  -0.863760D+01 -0.588876D+01  0.717536D+01 -0.323857D+01 -0.374188D+01
      6  -0.540861D+01 -0.349350D+01  0.384801D+01 -0.298554D+01 -0.420765D+01
                96            97            98            99           100 
      1  -0.732787D+00 -0.107080D+02 -0.586757D+01  0.402117D+01  0.321065D+01
      2  -0.182670D+01  0.279467D+01 -0.152025D+01 -0.940484D+00  0.354138D-01
      3   0.255949D+01  0.791328D+01  0.738783D+01 -0.308068D+01 -0.324606D+01
      4  -0.561214D+01 -0.172448D+02 -0.166443D+02  0.107081D+02 -0.215643D+02
      5   0.357702D+01  0.108096D+02  0.858917D+01 -0.830323D+01  0.153837D+02
      6   0.400736D+01  0.770271D+01  0.815846D+01 -0.722315D+01 -0.151920D+02
               101           102           103           104           105 
      1   0.175319D+01 -0.467054D-01  0.703800D+00 -0.360558D+01  0.166852D+01
      2  -0.529427D+01 -0.125641D+01 -0.419841D+01  0.766676D+01 -0.268504D+01
      3   0.354108D+01  0.130312D+01  0.349461D+01 -0.406117D+01  0.101652D+01
      4   0.172609D+02 -0.128196D+02  0.130950D+02 -0.890132D+01  0.452854D+01
      5  -0.968905D+01  0.121625D+02 -0.547439D+01  0.491097D+01 -0.253960D+01
      6   0.105993D+02 -0.112978D+02  0.648829D+01 -0.738955D+01  0.624528D+01
               106           107           108           109           110 
      1  -0.387802D+00  0.314993D+01 -0.289462D+01 -0.116800D+01 -0.345119D+00
      2  -0.202265D+01 -0.216641D+01 -0.187646D+01  0.169037D+01 -0.281004D+01
      3   0.241045D+01 -0.983518D+00  0.477108D+01 -0.522373D+00  0.315516D+01
      4  -0.139380D+02  0.640818D+01 -0.875291D+01 -0.125597D+01  0.459798D+01
      5   0.124371D+02 -0.576378D+01  0.897142D+01 -0.179214D+00 -0.110294D+01
      6  -0.104605D+02  0.949725D+01 -0.104800D+02 -0.576403D+00 -0.232229D+01
               111           112           113           114           115 
      1   0.205884D+01 -0.688666D+00 -0.703253D+01 -0.124533D+01  0.172276D+00
      2  -0.246683D+01 -0.226105D+01  0.136505D+02  0.745639D+01 -0.250142D+01
      3   0.407993D+00  0.294972D+01 -0.661801D+01 -0.621106D+01  0.232914D+01
      4  -0.884282D-01  0.507253D+01 -0.453673D+01 -0.322687D+01  0.371105D+01
      5   0.240103D+01 -0.753801D+00 -0.136682D+01 -0.108954D+01  0.635322D+00
      6   0.396300D+00 -0.256726D+01  0.454871D+01  0.103438D+02 -0.731749D+00
               116           117           118           119           120 
      1  -0.706787D+01 -0.336862D+01  0.259570D+00 -0.610825D+01 -0.412638D+01
      2   0.146004D+02  0.985226D+01  0.273280D-02  0.487742D+01  0.133060D+01
      3  -0.753256D+01 -0.648363D+01 -0.262303D+00  0.123083D+01  0.279578D+01
      4  -0.547388D+01 -0.198607D+01 -0.198761D+01  0.193746D+01  0.174219D+01
      5  -0.857781D+00 -0.227000D+01 -0.676558D+00  0.258847D+00  0.766006D+00
      6   0.838887D+01  0.152288D+02  0.303747D+01  0.288483D+01  0.534735D+01
               121           122           123           124           125 
      1  -0.318551D+01 -0.107447D+02 -0.835402D+01 -0.402120D+01 -0.111859D+02
      2   0.237720D+01  0.110918D+02  0.714556D+01  0.108595D+01  0.874995D+01
      3   0.808307D+00 -0.347076D+00  0.120847D+01  0.293524D+01  0.243596D+01
      4   0.348920D+01 -0.455823D+01 -0.405579D+01  0.503226D+01 -0.837603D+01
      5   0.865937D+00 -0.508055D+01 -0.691716D+01  0.306070D+01 -0.102664D+02
      6   0.116175D+01  0.120288D+02  0.156709D+02  0.190847D+01  0.188630D+02
               126           127           128           129           130 
      1  -0.192760D+02  0.502522D+02 -0.134165D+02  0.438291D+01 -0.587024D+01
      2   0.210309D+01 -0.187241D+02 -0.697876D+00 -0.199875D+01 -0.236114D+01
      3   0.171729D+02 -0.315281D+02  0.141143D+02 -0.238416D+01  0.823138D+01
      4  -0.632454D+01 -0.402029D+02  0.232070D+02 -0.299633D+01  0.161050D+02
      5  -0.181319D+02  0.625695D+00  0.498930D+00  0.778354D+01  0.958637D-01
      6   0.275031D+02 -0.178720D+01 -0.400871D+00 -0.424678D+01  0.174922D+00
               131           132           133           134           135 
      1   0.512876D+01 -0.793630D-01  0.616922D+01 -0.173648D+01  0.273170D+01
      2   0.245395D+01 -0.111549D+01 -0.236523D+01 -0.124267D+01 -0.122692D+01
      3  -0.758271D+01  0.119486D+01 -0.380399D+01  0.297915D+01 -0.150478D+01
      4  -0.105161D+02  0.163535D+01 -0.614615D+01  0.397413D+01 -0.489543D+01
      5   0.775802D+00 -0.193280D+01  0.757173D+01 -0.402831D+01  0.147464D+01
      6  -0.625526D+00  0.352074D+01 -0.327917D+01  0.457087D+01 -0.340811D+00
               136           137           138           139           140 
      1  -0.210327D+01 -0.940117D+01  0.532635D+01 -0.677909D+01 -0.119557D+02
      2   0.416597D+01  0.109660D+02 -0.460834D+01  0.695851D+01  0.169940D+02
      3  -0.206270D+01 -0.156487D+01 -0.718004D+00 -0.179421D+00 -0.503828D+01
      4   0.271088D+01  0.118171D+01 -0.309006D+01  0.442589D+01 -0.197907D+01
      5   0.135179D+01  0.818724D+00 -0.261185D+01  0.121181D+01  0.274713D+01
      6  -0.482784D+01 -0.414136D+01  0.735035D+01 -0.325547D+01 -0.798465D+01
               141           142           143           144           145 
      1   0.610551D+01  0.625129D+01  0.888274D+01 -0.119668D+02  0.213099D+01
      2  -0.875549D+01 -0.430672D+01 -0.122743D+02  0.798699D+01 -0.124682D-01
      3   0.264997D+01 -0.194457D+01  0.339153D+01  0.397981D+01 -0.211853D+01
      4  -0.828075D-01 -0.556447D+01  0.367644D+01 -0.174779D+00  0.285057D+01
      5  -0.435619D+01 -0.124798D+01 -0.493036D+01  0.502057D+01  0.274962D+01
      6   0.101587D+02  0.504619D+01  0.116850D+02 -0.114869D+02  0.873274D+00
               146           147           148           149           150 
      1   0.278042D+01  0.304625D+01  0.372717D+01 -0.160025D+02 -0.348579D+01
      2  -0.143997D+01 -0.790883D+00 -0.161850D+01  0.287598D+02  0.147641D+01
      3  -0.134044D+01 -0.225537D+01 -0.210867D+01 -0.127573D+02  0.200938D+01
      4   0.467470D+01  0.411394D+00  0.748292D+01  0.292861D+02  0.673363D+01
      5   0.119094D+01  0.138133D+01  0.409231D+01  0.494707D+01  0.560369D+01
      6  -0.560579D+00 -0.247930D+00  0.179265D+01  0.201903D+02  0.965140D+01
               151           152           153           154           155 
      1   0.577841D+00 -0.332043D+01 -0.445817D+01 -0.296880D+01 -0.282199D+01
      2   0.803488D-01  0.154875D+01  0.232879D+01 -0.328478D+01 -0.442187D+00
      3  -0.658190D+00  0.177168D+01  0.212939D+01  0.625358D+01  0.326417D+01
      4  -0.286418D-01  0.141154D+01  0.171224D+01 -0.199810D+01 -0.228968D+01
      5   0.137989D+01  0.222063D+01  0.594752D+00 -0.165214D+01 -0.159500D+01
      6  -0.464123D+00  0.805216D+01  0.272244D+01 -0.155807D+01 -0.377525D+01
               156           157           158           159           160 
      1   0.113928D+02 -0.408459D+01 -0.565715D+01  0.520702D+01  0.942967D+01
      2   0.331378D+01  0.100468D+01  0.204552D+01  0.384107D+01  0.897609D+00
      3  -0.147066D+02  0.307992D+01  0.361163D+01 -0.904809D+01 -0.103273D+02
      4   0.135799D+01 -0.101511D+01 -0.374136D+00  0.224755D+01  0.248457D+01
      5  -0.165147D+00 -0.265652D+01  0.440597D+00 -0.374366D+01  0.448492D+01
      6   0.609917D+00 -0.228657D+01 -0.253845D+01  0.506086D+01  0.891485D+00
               161           162           163           164           165 
      1   0.373926D+01 -0.167408D+02  0.531677D+02 -0.393352D+01  0.149205D+02
      2   0.262208D+01 -0.107569D+02 -0.342141D+02  0.278322D+01 -0.137408D+02
      3  -0.636134D+01  0.274977D+02 -0.189536D+02  0.115030D+01 -0.117966D+01
      4   0.321275D+01 -0.331552D+01  0.378296D+01  0.810502D+01  0.193708D+01
      5  -0.475183D+00  0.526654D+01  0.342021D+02 -0.169888D+01  0.201045D+02
      6   0.507976D+01 -0.182075D+01 -0.239661D+00  0.396112D+01  0.123064D+01
               166           167           168           169           170 
      1  -0.842410D+01  0.367493D+01 -0.193081D+01  0.859836D+01  0.194709D+00
      2   0.561541D+01 -0.649471D+00  0.337878D+01 -0.914490D+01  0.100253D+01
      3   0.280869D+01 -0.302546D+01 -0.144797D+01  0.546542D+00 -0.119724D+01
      4   0.727424D+01 -0.580012D+00  0.275106D+01  0.114257D+01  0.129491D+01
      5  -0.614291D+01  0.378362D+01 -0.465765D+01  0.157315D+02 -0.179705D+01
      6   0.325762D+01 -0.323379D+00  0.241464D+01  0.573321D+00  0.191469D+01
               171 
      1   0.585914D+01
      2  -0.902666D+01
      3   0.316751D+01
      4  -0.520108D+00
      5   0.108262D+02
      6  -0.965151D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:08:12 2021, MaxMem=  5368709120 cpu:           12526.2 elap:            1566.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20750 -19.15079 -14.32383 -10.32395 -10.23184
 Alpha  occ. eigenvalues --  -10.19742 -10.17699 -10.17382  -1.12553  -1.03622
 Alpha  occ. eigenvalues --   -0.90694  -0.80451  -0.71695  -0.69078  -0.63074
 Alpha  occ. eigenvalues --   -0.56713  -0.52978  -0.50130  -0.48971  -0.47951
 Alpha  occ. eigenvalues --   -0.44746  -0.44030  -0.42187  -0.40825  -0.39433
 Alpha  occ. eigenvalues --   -0.38437  -0.34805  -0.34279  -0.34064  -0.33353
 Alpha  occ. eigenvalues --   -0.29432  -0.25928
 Alpha virt. eigenvalues --   -0.01742  -0.01440  -0.00280   0.00250   0.01110
 Alpha virt. eigenvalues --    0.02634   0.03079   0.03210   0.04153   0.04600
 Alpha virt. eigenvalues --    0.06173   0.06649   0.06951   0.07642   0.08135
 Alpha virt. eigenvalues --    0.08583   0.08999   0.09304   0.09650   0.10197
 Alpha virt. eigenvalues --    0.10550   0.11487   0.11834   0.12225   0.12602
 Alpha virt. eigenvalues --    0.13416   0.13539   0.14230   0.14731   0.14987
 Alpha virt. eigenvalues --    0.15542   0.15633   0.16380   0.17612   0.18653
 Alpha virt. eigenvalues --    0.19075   0.20112   0.20369   0.20708   0.21776
 Alpha virt. eigenvalues --    0.22021   0.22745   0.23065   0.24169   0.24398
 Alpha virt. eigenvalues --    0.25184   0.25553   0.25973   0.26629   0.27403
 Alpha virt. eigenvalues --    0.27801   0.28111   0.29598   0.30599   0.31358
 Alpha virt. eigenvalues --    0.32358   0.33839   0.33963   0.34342   0.34977
 Alpha virt. eigenvalues --    0.35878   0.36759   0.37036   0.37582   0.38025
 Alpha virt. eigenvalues --    0.38165   0.39389   0.39715   0.40138   0.41421
 Alpha virt. eigenvalues --    0.42117   0.42982   0.43517   0.44380   0.45378
 Alpha virt. eigenvalues --    0.46107   0.46553   0.47208   0.47482   0.48868
 Alpha virt. eigenvalues --    0.49480   0.50655   0.50817   0.51183   0.51998
 Alpha virt. eigenvalues --    0.52691   0.53493   0.54809   0.55695   0.56067
 Alpha virt. eigenvalues --    0.57630   0.58710   0.59309   0.60283   0.61597
 Alpha virt. eigenvalues --    0.61885   0.62039   0.62952   0.64228   0.65259
 Alpha virt. eigenvalues --    0.66029   0.66795   0.67585   0.67946   0.68897
 Alpha virt. eigenvalues --    0.69810   0.70442   0.71836   0.72380   0.73654
 Alpha virt. eigenvalues --    0.75505   0.76380   0.77206   0.77721   0.79086
 Alpha virt. eigenvalues --    0.80479   0.81462   0.81636   0.83120   0.84608
 Alpha virt. eigenvalues --    0.86342   0.86909   0.88095   0.89103   0.92203
 Alpha virt. eigenvalues --    0.92643   0.94310   0.94922   0.95701   0.96970
 Alpha virt. eigenvalues --    0.98127   1.00524   1.00869   1.02857   1.05812
 Alpha virt. eigenvalues --    1.06646   1.08069   1.09457   1.10518   1.11209
 Alpha virt. eigenvalues --    1.13926   1.15522   1.15788   1.18655   1.19435
 Alpha virt. eigenvalues --    1.21869   1.23150   1.24800   1.26163   1.27280
 Alpha virt. eigenvalues --    1.29038   1.33631   1.36130   1.38073   1.39452
 Alpha virt. eigenvalues --    1.41130   1.43908   1.45468   1.48076   1.50925
 Alpha virt. eigenvalues --    1.52116   1.55152   1.57266   1.57604   1.59659
 Alpha virt. eigenvalues --    1.60360   1.61908   1.65634   1.67535   1.67948
 Alpha virt. eigenvalues --    1.70137   1.71974   1.72326   1.75143   1.76628
 Alpha virt. eigenvalues --    1.77823   1.79479   1.81259   1.82615   1.84103
 Alpha virt. eigenvalues --    1.85011   1.87507   1.88883   1.89210   1.90166
 Alpha virt. eigenvalues --    1.91870   1.95258   1.97610   1.97765   2.00173
 Alpha virt. eigenvalues --    2.02654   2.04225   2.05375   2.05963   2.08058
 Alpha virt. eigenvalues --    2.09071   2.12314   2.14208   2.15834   2.16425
 Alpha virt. eigenvalues --    2.18196   2.19801   2.21002   2.22289   2.22730
 Alpha virt. eigenvalues --    2.24096   2.24662   2.28475   2.29405   2.31104
 Alpha virt. eigenvalues --    2.32040   2.33809   2.36139   2.39994   2.43659
 Alpha virt. eigenvalues --    2.46362   2.49458   2.50203   2.52490   2.54447
 Alpha virt. eigenvalues --    2.56114   2.57726   2.61620   2.61983   2.65074
 Alpha virt. eigenvalues --    2.68647   2.70986   2.73437   2.82585   2.82910
 Alpha virt. eigenvalues --    2.83864   2.88029   2.91442   3.01949   3.04818
 Alpha virt. eigenvalues --    3.07724   3.13015   3.30153   3.32057   3.34847
 Alpha virt. eigenvalues --    3.37478   3.40518   3.42800   3.45199   3.46579
 Alpha virt. eigenvalues --    3.48400   3.53507   3.66278   3.70059   3.85432
 Alpha virt. eigenvalues --    4.00796
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.904899   0.232023  -0.805852   0.079757   0.036983  -0.301265
     2  C    0.232023   7.651187  -0.693706  -0.547069   0.042270  -0.070626
     3  C   -0.805852  -0.693706  13.125554  -3.435185  -0.041476   0.003347
     4  C    0.079757  -0.547069  -3.435185   8.325859  -0.109125  -0.034959
     5  O    0.036983   0.042270  -0.041476  -0.109125   8.315688  -0.021542
     6  C   -0.301265  -0.070626   0.003347  -0.034959  -0.021542   4.813543
     7  N    0.163996   0.062441  -1.279372   0.494406   0.004414  -0.039737
     8  O    0.012171   0.075969   0.039595   0.013194  -0.014739  -0.010494
     9  H    0.135529   0.345227  -2.012585   0.338856  -0.016160  -0.018895
    10  H   -0.089609  -1.289478   0.259525   0.220614   0.000632   0.044392
    11  H   -0.005319   0.006967   0.060957  -0.127205   0.281026  -0.006259
    12  H   -0.012355  -0.022875   0.206837  -0.071248   0.002475   0.005146
    13  H    0.004364  -0.005332  -0.067704  -0.079226  -0.001325   0.019891
    14  H    0.013939   0.321789  -0.455705   0.127901   0.025216  -0.015314
    15  H    0.088181   0.299532   0.171093  -0.116373   0.000080  -0.123907
    16  H   -0.224683  -0.221346   0.068749   0.120532  -0.036782   0.462330
    17  H    0.023513   0.219006  -0.130934   0.034229  -0.001117  -0.038363
    18  H    0.375772  -0.113367  -0.246780   0.148637  -0.006055  -0.106647
    19  H   -0.030741   0.166659   0.111413  -0.053294   0.002474   0.058194
               7          8          9         10         11         12
     1  C    0.163996   0.012171   0.135529  -0.089609  -0.005319  -0.012355
     2  C    0.062441   0.075969   0.345227  -1.289478   0.006967  -0.022875
     3  C   -1.279372   0.039595  -2.012585   0.259525   0.060957   0.206837
     4  C    0.494406   0.013194   0.338856   0.220614  -0.127205  -0.071248
     5  O    0.004414  -0.014739  -0.016160   0.000632   0.281026   0.002475
     6  C   -0.039737  -0.010494  -0.018895   0.044392  -0.006259   0.005146
     7  N    6.920493   0.013923   0.286043  -0.023942   0.000859   0.161371
     8  O    0.013923   8.476396  -0.027427   0.000944  -0.039416   0.001478
     9  H    0.286043  -0.027427   2.670948  -0.052667   0.014091  -0.096546
    10  H   -0.023942   0.000944  -0.052667   2.656684   0.002703   0.020410
    11  H    0.000859  -0.039416   0.014091   0.002703   0.665583  -0.000789
    12  H    0.161371   0.001478  -0.096546   0.020410  -0.000789   1.025983
    13  H    0.323978   0.016578   0.056005  -0.016102  -0.000826  -0.115427
    14  H    0.049825   0.003519   0.039586  -0.071443   0.002327  -0.000478
    15  H   -0.033335  -0.001437   0.027139  -0.127633  -0.001545  -0.000221
    16  H   -0.000823  -0.011424  -0.023917   0.110152   0.004094   0.000461
    17  H   -0.009123   0.000364   0.014719  -0.099616   0.000329  -0.008401
    18  H    0.025399   0.004914   0.011956   0.098160   0.002628   0.002580
    19  H    0.000171  -0.002056   0.007680  -0.070230  -0.001285   0.000817
              13         14         15         16         17         18
     1  C    0.004364   0.013939   0.088181  -0.224683   0.023513   0.375772
     2  C   -0.005332   0.321789   0.299532  -0.221346   0.219006  -0.113367
     3  C   -0.067704  -0.455705   0.171093   0.068749  -0.130934  -0.246780
     4  C   -0.079226   0.127901  -0.116373   0.120532   0.034229   0.148637
     5  O   -0.001325   0.025216   0.000080  -0.036782  -0.001117  -0.006055
     6  C    0.019891  -0.015314  -0.123907   0.462330  -0.038363  -0.106647
     7  N    0.323978   0.049825  -0.033335  -0.000823  -0.009123   0.025399
     8  O    0.016578   0.003519  -0.001437  -0.011424   0.000364   0.004914
     9  H    0.056005   0.039586   0.027139  -0.023917   0.014719   0.011956
    10  H   -0.016102  -0.071443  -0.127633   0.110152  -0.099616   0.098160
    11  H   -0.000826   0.002327  -0.001545   0.004094   0.000329   0.002628
    12  H   -0.115427  -0.000478  -0.000221   0.000461  -0.008401   0.002580
    13  H    0.865086   0.003510  -0.002069   0.002240   0.039286  -0.006920
    14  H    0.003510   2.080246  -0.497206  -0.303184  -0.024835   0.000952
    15  H   -0.002069  -0.497206   2.108312  -0.467925   0.040031  -0.018682
    16  H    0.002240  -0.303184  -0.467925   1.734529  -0.007375   0.012067
    17  H    0.039286  -0.024835   0.040031  -0.007375   2.111810  -0.304515
    18  H   -0.006920   0.000952  -0.018682   0.012067  -0.304515   1.757733
    19  H   -0.002596   0.035860  -0.037583  -0.019143  -0.534618  -0.402812
              19
     1  C   -0.030741
     2  C    0.166659
     3  C    0.111413
     4  C   -0.053294
     5  O    0.002474
     6  C    0.058194
     7  N    0.000171
     8  O   -0.002056
     9  H    0.007680
    10  H   -0.070230
    11  H   -0.001285
    12  H    0.000817
    13  H   -0.002596
    14  H    0.035860
    15  H   -0.037583
    16  H   -0.019143
    17  H   -0.534618
    18  H   -0.402812
    19  H    2.082086
 Mulliken charges:
               1
     1  C    1.398696
     2  C   -0.459271
     3  C    1.122227
     4  C    0.669699
     5  O   -0.462938
     6  C    1.381167
     7  N   -0.120987
     8  O   -0.552053
     9  H   -0.699580
    10  H   -0.573495
    11  H    0.141079
    12  H   -0.099218
    13  H   -0.033408
    14  H   -0.336505
    15  H   -0.306453
    16  H   -0.198552
    17  H   -0.324389
    18  H   -0.235021
    19  H   -0.310997
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.528290
     2  C   -1.032767
     3  C    0.422646
     4  C    0.669699
     5  O   -0.321859
     6  C    0.539657
     7  N   -0.253613
     8  O   -0.552053
 Electronic spatial extent (au):  <R**2>=            998.2489
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1839    Y=             -1.1954    Z=             -0.7050  Tot=              1.3999
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.3952   YY=            -50.2604   ZZ=            -52.4231
   XY=              0.7787   XZ=              3.0261   YZ=             -1.3826
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.9644   YY=              0.0992   ZZ=             -2.0635
   XY=              0.7787   XZ=              3.0261   YZ=             -1.3826
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.8646  YYY=             -3.0128  ZZZ=             -5.0336  XYY=            -17.2963
  XXY=             -9.6141  XXZ=             -3.0149  XZZ=             -3.2341  YZZ=             -3.2951
  YYZ=              8.7012  XYZ=             10.0724
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -585.6513 YYYY=           -438.4025 ZZZZ=           -254.2301 XXXY=             30.6514
 XXXZ=              0.8127 YYYX=              4.6430 YYYZ=              4.7688 ZZZX=              4.1708
 ZZZY=             -1.3450 XXYY=           -158.1523 XXZZ=           -152.7970 YYZZ=           -119.3916
 XXYZ=            -16.4248 YYXZ=              0.3473 ZZXY=             -2.1731
 N-N= 4.110192111945D+02 E-N=-1.761408502808D+03  KE= 4.000124808850D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:08:12 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8124    0.8133        0.6346    0.6344
 2     -0.8124   -0.8133       -0.7058   -0.7047        0.9089    0.9079
 3     -0.6346   -0.6344        4.0802    4.0799        0.7050    0.7047
 4      0.7058    0.7047        0.0000    0.0000       -0.6348   -0.6344
 5     -4.9890   -4.9878        0.6348    0.6344        0.8132    0.8133
 6     -0.7050   -0.7047       -0.8132   -0.8133        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4400   -2.4400        1.9032    1.9032
 2      2.1140    2.1140       -0.0000    0.0000        1.9032    1.9032
 3      2.1140    2.1140       -2.4400   -2.4400        0.0000    0.0000
 4     -2.4400   -2.4400       -2.1140   -2.1140        2.7237    2.7237
 5     -1.9032   -1.9032       12.2398   12.2398        2.1140    2.1140
 6    -14.9635  -14.9635        1.9032    1.9032        2.4400    2.4400
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0393    0.0000       -3.2199   -3.2533       -2.6243   -2.5376
 2      3.2599    3.2533        2.8062    2.8187       -3.6630   -3.6316
 3      2.5612    2.5376      -16.2502  -16.3197       -2.8490   -2.8187
 4     -2.8288   -2.8187        0.0081    0.0000        2.5193    2.5376
 5     19.9482   19.9513       -2.4723   -2.5376       -3.2397   -3.2533
 6      2.8238    2.8187        3.2861    3.2533       -0.0652    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0139    0.0000       12.4486   12.4828      -12.2850  -12.3302
 2    -12.4669  -12.4828       -0.9843   -1.0362        1.0871    1.0947
 3     12.3883   12.3302        8.1059    8.0853        1.0668    1.0362
 4      1.0317    1.0362       -0.0189    0.0000       12.3005   12.3302
 5     -9.1382   -9.1800      -12.3659  -12.3302       12.5259   12.4828
 6     -0.9948   -1.0362      -12.4162  -12.4828        0.0091    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.5507   -2.3987       28.1556   28.1505       37.0123   36.9876
 2     -7.7144   -7.5361       45.6107   45.6244       36.9666   36.9876
 3     -7.7153   -7.5361       28.1693   28.1505       53.8694   53.9063
 4    -17.4149  -17.4739        5.2764    5.1375        6.5611    6.5367
 5     17.0303   16.9187        9.0068    9.0234       -5.1057   -5.1375
 6    -15.5219  -15.5601      -16.9091  -16.9187       17.4618   17.4739
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.9206                 0.5634                 1.0697
  Dep-P Fr= 1--      0.7485                 0.7140                 0.5512
  Dep-U Fr= 1--      0.8561                 0.8332                 0.7107
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0041
 Beta2  Fr= 1--      0.1314                 0.0782                 0.1267
 AlphaG Fr= 1--     -0.0001                 0.0009                -0.0045
 Gamma2 Fr= 1--     -0.1003                 0.0226                 0.0496
 Delta2 Fr= 1--      0.0335                -0.0135                 0.0928
 Raman1 Fr= 1--       3.682                  2.254                  4.279
 ROA1   Fr= 1--      -8.558                  1.734                  7.737
 CID1   Fr= 1--      -2.324                  0.769                  1.808
 Raman2 Fr= 1--       1.576                  0.939                  1.520
 ROA2   Fr= 1--      -2.676                  0.649                  0.449
 CID2   Fr= 1--      -1.698                  0.691                  0.295
 Raman3 Fr= 1--       3.153                  1.878                  3.041
 ROA3   Fr= 1--      -8.558                  1.734                  7.737
 CID3   Fr= 1--      -2.714                  0.923                  2.544
 RC180  Fr= 1--       0.712                  0.666                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.1404                 0.1273                 0.0569
  Dep-P Fr= 1--      0.6436                 0.3063                 0.3279
  Dep-U Fr= 1--      0.7832                 0.4689                 0.4938
 Alpha2 Fr= 1--      0.0003                 0.0013                 0.0005
 Beta2  Fr= 1--      0.0183                 0.0099                 0.0047
 AlphaG Fr= 1--     -0.0000                 0.0053                -0.0041
 Gamma2 Fr= 1--     -0.0671                 0.0351                 0.0322
 Delta2 Fr= 1--      0.0353                -0.0016                 0.0221
 Raman1 Fr= 1--       0.562                  0.509                  0.228
 ROA1   Fr= 1--      -5.313                  3.321                  3.796
 CID1   Fr= 1--      -9.458                  6.525                 16.671
 Raman2 Fr= 1--       0.220                  0.119                  0.056
 ROA2   Fr= 1--      -1.893                  0.856                  0.595
 CID2   Fr= 1--      -8.606                  7.174                 10.581
 Raman3 Fr= 1--       0.440                  0.239                  0.112
 ROA3   Fr= 1--      -5.313                  3.321                  3.796
 CID3   Fr= 1--     -12.077                 13.916                 33.760
 RC180  Fr= 1--       0.566                 -0.062                 -0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.2349                 0.4282                 1.0305
  Dep-P Fr= 1--      0.0638                 0.2178                 0.6991
  Dep-U Fr= 1--      0.1200                 0.3576                 0.8229
 Alpha2 Fr= 1--      0.0045                 0.0055                 0.0009
 Beta2  Fr= 1--      0.0047                 0.0255                 0.1413
 AlphaG Fr= 1--     -0.0096                -0.0005                -0.0041
 Gamma2 Fr= 1--      0.0136                -0.1866                -0.3090
 Delta2 Fr= 1--     -0.0030                -0.0018                 0.1055
 Raman1 Fr= 1--       0.939                  1.713                  4.122
 ROA1   Fr= 1--       1.205                -17.971                -26.288
 CID1   Fr= 1--       1.283                -10.492                 -6.377
 Raman2 Fr= 1--       0.056                  0.306                  1.696
 ROA2   Fr= 1--       0.350                 -4.463                 -8.261
 CID2   Fr= 1--       6.204                -14.572                 -4.871
 Raman3 Fr= 1--       0.113                  0.613                  3.392
 ROA3   Fr= 1--       1.205                -17.971                -26.288
 CID3   Fr= 1--      10.694                -29.337                 -7.750
 RC180  Fr= 1--      -0.760                 -0.285                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      0.8865                 0.7177                 3.5997
  Dep-P Fr= 1--      0.4502                 0.3052                 0.1042
  Dep-U Fr= 1--      0.6209                 0.4677                 0.1887
 Alpha2 Fr= 1--      0.0054                 0.0072                 0.0624
 Beta2  Fr= 1--      0.0917                 0.0559                 0.1132
 AlphaG Fr= 1--      0.0139                 0.0169                -0.0151
 Gamma2 Fr= 1--      0.2974                 0.1112                 0.4959
 Delta2 Fr= 1--     -0.0217                 0.0181                 0.1532
 Raman1 Fr= 1--       3.546                  2.871                 14.399
 ROA1   Fr= 1--      27.858                 11.254                 52.509
 CID1   Fr= 1--       7.856                  3.920                  3.647
 Raman2 Fr= 1--       1.101                  0.671                  1.359
 ROA2   Fr= 1--       7.311                  2.524                 10.676
 CID2   Fr= 1--       6.641                  3.759                  7.857
 Raman3 Fr= 1--       2.202                  1.343                  2.717
 ROA3   Fr= 1--      27.858                 11.254                 52.509
 CID3   Fr= 1--      12.652                  8.382                 19.324
 RC180  Fr= 1--       0.242                 -0.065                 -0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.6729                 3.9124                13.9234
  Dep-P Fr= 1--      0.7275                 0.2619                 0.0386
  Dep-U Fr= 1--      0.8422                 0.4151                 0.0744
 Alpha2 Fr= 1--      0.0003                 0.0448                 0.2826
 Beta2  Fr= 1--      0.0945                 0.2707                 0.1726
 AlphaG Fr= 1--      0.0028                -0.0370                 0.0561
 Gamma2 Fr= 1--     -0.8151                -0.9836                 0.9389
 Delta2 Fr= 1--      0.1795                -0.3355                 0.0024
 Raman1 Fr= 1--       2.692                 15.649                 55.694
 ROA1   Fr= 1--     -72.510               -105.160                 90.206
 CID1   Fr= 1--     -26.938                 -6.720                  1.620
 Raman2 Fr= 1--       1.134                  3.248                  2.071
 ROA2   Fr= 1--     -20.999                -20.921                 22.513
 CID2   Fr= 1--     -18.525                 -6.441                 10.872
 Raman3 Fr= 1--       2.267                  6.496                  4.141
 ROA3   Fr= 1--     -72.510               -105.160                 90.206
 CID3   Fr= 1--     -31.984                -16.188                 21.781
 RC180  Fr= 1--       0.684                 -0.170                 -0.851
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      7.0456                 2.2454                 3.8268
  Dep-P Fr= 1--      0.0799                 0.7270                 0.4579
  Dep-U Fr= 1--      0.1480                 0.8419                 0.6281
 Alpha2 Fr= 1--      0.1295                 0.0009                 0.0227
 Beta2  Fr= 1--      0.1738                 0.3151                 0.4006
 AlphaG Fr= 1--     -0.0828                 0.0016                -0.0497
 Gamma2 Fr= 1--     -0.1002                -0.4491                -0.3548
 Delta2 Fr= 1--      1.1215                -0.3546                -0.3248
 Raman1 Fr= 1--      28.182                  8.982                 15.307
 ROA1   Fr= 1--      26.269                -54.458                -44.457
 CID1   Fr= 1--       0.932                 -6.063                 -2.904
 Raman2 Fr= 1--       2.086                  3.781                  4.808
 ROA2   Fr= 1--     -11.376                 -7.941                 -5.918
 CID2   Fr= 1--      -5.455                 -2.100                 -1.231
 Raman3 Fr= 1--       4.171                  7.562                  9.615
 ROA3   Fr= 1--      26.269                -54.458                -44.457
 CID3   Fr= 1--       6.298                 -7.202                 -4.624
 RC180  Fr= 1--      -0.704                  0.684                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.7354                 6.8736                 2.0904
  Dep-P Fr= 1--      0.6023                 0.5939                 0.7346
  Dep-U Fr= 1--      0.7518                 0.7452                 0.8470
 Alpha2 Fr= 1--      0.0020                 0.0199                 0.0006
 Beta2  Fr= 1--      0.0922                 0.8537                 0.2951
 AlphaG Fr= 1--     -0.0076                -0.0197                 0.0014
 Gamma2 Fr= 1--     -0.4094                -0.3998                 0.0044
 Delta2 Fr= 1--     -0.2703                 1.3798                 0.0702
 Raman1 Fr= 1--       2.942                 27.494                  8.362
 ROA1   Fr= 1--     -47.948                  5.773                  2.673
 CID1   Fr= 1--     -16.300                  0.210                  0.320
 Raman2 Fr= 1--       1.106                 10.244                  3.541
 ROA2   Fr= 1--      -7.662                -20.634                 -0.455
 CID2   Fr= 1--      -6.929                 -2.014                 -0.128
 Raman3 Fr= 1--       2.212                 20.489                  7.082
 ROA3   Fr= 1--     -47.948                  5.773                  2.673
 CID3   Fr= 1--     -21.680                  0.282                  0.377
 RC180  Fr= 1--       0.504                  0.490                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      5.3011                 2.4901                 2.8771
  Dep-P Fr= 1--      0.6749                 0.2345                 0.7377
  Dep-U Fr= 1--      0.8059                 0.3799                 0.8490
 Alpha2 Fr= 1--      0.0070                 0.0308                 0.0006
 Beta2  Fr= 1--      0.7120                 0.1576                 0.4071
 AlphaG Fr= 1--      0.0066                 0.0316                 0.0041
 Gamma2 Fr= 1--     -0.4666                -0.4547                 0.2353
 Delta2 Fr= 1--      0.2508                -0.2467                -0.6192
 Raman1 Fr= 1--      21.204                  9.960                 11.508
 ROA1   Fr= 1--     -36.764                -51.543                  2.771
 CID1   Fr= 1--      -1.734                 -5.175                  0.241
 Raman2 Fr= 1--       8.544                  1.892                  4.885
 ROA2   Fr= 1--     -13.204                 -8.939                 10.600
 CID2   Fr= 1--      -1.545                 -4.725                  2.170
 Raman3 Fr= 1--      17.088                  3.784                  9.771
 ROA3   Fr= 1--     -36.764                -51.543                  2.771
 CID3   Fr= 1--      -2.151                -13.623                  0.284
 RC180  Fr= 1--       0.612                 -0.240                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      1.5967                 4.0192                 0.7761
  Dep-P Fr= 1--      0.7494                 0.5894                 0.4579
  Dep-U Fr= 1--      0.8567                 0.7417                 0.6281
 Alpha2 Fr= 1--      0.0000                 0.0120                 0.0046
 Beta2  Fr= 1--      0.2280                 0.4968                 0.0812
 AlphaG Fr= 1--      0.0012                 0.0042                 0.0141
 Gamma2 Fr= 1--     -0.2052                 0.2154                -0.0267
 Delta2 Fr= 1--      0.2906                -0.2128                 0.1187
 Raman1 Fr= 1--       6.387                 16.077                  3.105
 ROA1   Fr= 1--     -10.398                 13.872                  1.239
 CID1   Fr= 1--      -1.628                  0.863                  0.399
 Raman2 Fr= 1--       2.736                  5.962                  0.975
 ROA2   Fr= 1--      -7.249                  6.873                 -1.590
 CID2   Fr= 1--      -2.650                  1.153                 -1.631
 Raman3 Fr= 1--       5.472                 11.924                  1.950
 ROA3   Fr= 1--     -10.398                 13.872                  1.239
 CID3   Fr= 1--      -1.900                  1.163                  0.635
 RC180  Fr= 1--       0.713                  0.483                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--     11.2150                 3.7634                 4.3047
  Dep-P Fr= 1--      0.5645                 0.4220                 0.7428
  Dep-U Fr= 1--      0.7216                 0.5935                 0.8524
 Alpha2 Fr= 1--      0.0394                 0.0257                 0.0005
 Beta2  Fr= 1--      1.3489                 0.3723                 0.6116
 AlphaG Fr= 1--     -0.0264                -0.0060                -0.0023
 Gamma2 Fr= 1--     -1.8922                 0.4519                 1.4208
 Delta2 Fr= 1--      1.6870                -1.0970                 1.0467
 Raman1 Fr= 1--      44.860                 15.053                 17.219
 ROA1   Fr= 1--    -127.672                  8.276                169.896
 CID1   Fr= 1--      -2.846                  0.550                  9.867
 Raman2 Fr= 1--      16.187                  4.467                  7.339
 ROA2   Fr= 1--     -58.909                 19.620                 25.727
 CID2   Fr= 1--      -3.639                  4.392                  3.505
 Raman3 Fr= 1--      32.373                  8.935                 14.678
 ROA3   Fr= 1--    -127.672                  8.276                169.896
 CID3   Fr= 1--      -3.944                  0.926                 11.575
 RC180  Fr= 1--       0.443                  0.187                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      4.2872                 0.2025                 3.0779
  Dep-P Fr= 1--      0.7380                 0.7498                 0.4789
  Dep-U Fr= 1--      0.8492                 0.8570                 0.6477
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0167
 Beta2  Fr= 1--      0.6068                 0.0289                 0.3323
 AlphaG Fr= 1--     -0.0051                 0.0000                 0.0254
 Gamma2 Fr= 1--      0.4699                 0.0798                 0.6314
 Delta2 Fr= 1--     -1.3393                -0.0457                -0.4881
 Raman1 Fr= 1--      17.149                  0.810                 12.312
 ROA1   Fr= 1--       2.257                  6.201                 44.995
 CID1   Fr= 1--       0.132                  7.656                  3.655
 Raman2 Fr= 1--       7.282                  0.347                  3.987
 ROA2   Fr= 1--      21.993                  2.281                 19.058
 CID2   Fr= 1--       3.020                  6.572                  4.780
 Raman3 Fr= 1--      14.563                  0.694                  7.974
 ROA3   Fr= 1--       2.257                  6.201                 44.995
 CID3   Fr= 1--       0.155                  8.933                  5.643
 RC180  Fr= 1--       0.698                  0.714                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.3399                 5.0974                 3.6886
  Dep-P Fr= 1--      0.7488                 0.7482                 0.7481
  Dep-U Fr= 1--      0.8564                 0.8559                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0001
 Beta2  Fr= 1--      0.1912                 0.7272                 0.5262
 AlphaG Fr= 1--      0.0003                -0.0010                 0.0028
 Gamma2 Fr= 1--      0.1355                 0.5247                -0.0263
 Delta2 Fr= 1--      0.0366                 0.2502                 0.0673
 Raman1 Fr= 1--       5.360                 20.389                 14.754
 ROA1   Fr= 1--      14.182                 58.380                 -0.372
 CID1   Fr= 1--       2.646                  2.863                 -0.025
 Raman2 Fr= 1--       2.295                  8.726                  6.314
 ROA2   Fr= 1--       2.961                 10.593                 -1.169
 CID2   Fr= 1--       1.290                  1.214                 -0.185
 Raman3 Fr= 1--       4.590                 17.452                 12.628
 ROA3   Fr= 1--      14.182                 58.380                 -0.372
 CID3   Fr= 1--       3.090                  3.345                 -0.029
 RC180  Fr= 1--       0.713                  0.712                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      6.4218                 1.3173                 2.4533
  Dep-P Fr= 1--      0.7457                 0.6552                 0.5591
  Dep-U Fr= 1--      0.8543                 0.7917                 0.7172
 Alpha2 Fr= 1--      0.0005                 0.0022                 0.0089
 Beta2  Fr= 1--      0.9143                 0.1738                 0.2933
 AlphaG Fr= 1--     -0.0023                -0.0015                -0.0091
 Gamma2 Fr= 1--     -0.0609                -0.1480                -0.3205
 Delta2 Fr= 1--      0.3059                 0.1978                 0.1677
 Raman1 Fr= 1--      25.687                  5.269                  9.813
 ROA1   Fr= 1--       3.941                 -7.879                -25.402
 CID1   Fr= 1--       0.153                 -1.495                 -2.589
 Raman2 Fr= 1--      10.972                  2.086                  3.519
 ROA2   Fr= 1--      -3.909                 -5.134                 -9.034
 CID2   Fr= 1--      -0.356                 -2.461                 -2.567
 Raman3 Fr= 1--      21.944                  4.172                  7.038
 ROA3   Fr= 1--       3.941                 -7.879                -25.402
 CID3   Fr= 1--       0.180                 -1.889                 -3.609
 RC180  Fr= 1--       0.709                  0.583                  0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--     11.0993               149.7105                83.3693
  Dep-P Fr= 1--      0.1745                 0.2441                 0.0284
  Dep-U Fr= 1--      0.2972                 0.3925                 0.0553
 Alpha2 Fr= 1--      0.1611                 1.8036                 1.7331
 Beta2  Fr= 1--      0.5497                 9.7928                 0.7684
 AlphaG Fr= 1--     -0.0445                -0.2602                 0.0210
 Gamma2 Fr= 1--     -0.3486                -9.9960                 1.4559
 Delta2 Fr= 1--      0.1308                -6.0882                 1.0868
 Raman1 Fr= 1--      44.397                598.842                333.477
 ROA1   Fr= 1--     -29.284              -1154.439                174.544
 CID1   Fr= 1--      -0.660                 -1.928                  0.523
 Raman2 Fr= 1--       6.596                117.514                  9.221
 ROA2   Fr= 1--      -9.413               -191.199                 26.247
 CID2   Fr= 1--      -1.427                 -1.627                  2.846
 Raman3 Fr= 1--      13.193                235.028                 18.442
 ROA3   Fr= 1--     -29.284              -1154.439                174.544
 CID3   Fr= 1--      -2.220                 -4.912                  9.464
 RC180  Fr= 1--      -0.406                 -0.215                 -0.889
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    224.3916                93.8836                11.8149
  Dep-P Fr= 1--      0.0307                 0.1465                 0.7151
  Dep-U Fr= 1--      0.0596                 0.2555                 0.8339
 Alpha2 Fr= 1--      4.6400                 1.4644                 0.0071
 Beta2  Fr= 1--      2.2274                 3.9981                 1.6421
 AlphaG Fr= 1--     -0.4760                 0.9005                 0.0046
 Gamma2 Fr= 1--      0.4095                10.2071                 4.9724
 Delta2 Fr= 1--     -0.2040                 6.4514                 2.7842
 Raman1 Fr= 1--     897.566                375.534                 47.260
 ROA1   Fr= 1--      32.784               1186.328                566.443
 CID1   Fr= 1--       0.037                  3.159                 11.986
 Raman2 Fr= 1--      26.729                 47.978                 19.705
 ROA2   Fr= 1--      11.460                193.360                 97.063
 CID2   Fr= 1--       0.429                  4.030                  4.926
 Raman3 Fr= 1--      53.457                 95.955                 39.410
 ROA3   Fr= 1--      32.784               1186.328                566.443
 CID3   Fr= 1--       0.613                 12.363                 14.373
 RC180  Fr= 1--      -0.881                 -0.489                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     79.0358               104.6622                51.7545
  Dep-P Fr= 1--      0.7492                 0.6043                 0.5548
  Dep-U Fr= 1--      0.8566                 0.7534                 0.7136
 Alpha2 Fr= 1--      0.0011                 0.2816                 0.1926
 Beta2  Fr= 1--     11.2836                13.1415                 6.1556
 AlphaG Fr= 1--     -0.0254                -0.1746                 0.2603
 Gamma2 Fr= 1--    -14.9612                 7.1530                 1.0221
 Delta2 Fr= 1--     -8.1798                 5.3355                -1.3322
 Raman1 Fr= 1--     316.143                418.649                207.018
 ROA1   Fr= 1--   -1698.031                857.428                 55.494
 CID1   Fr= 1--      -5.371                  2.048                  0.268
 Raman2 Fr= 1--     135.403                157.697                 73.868
 ROA2   Fr= 1--    -293.631                128.988                 35.189
 CID2   Fr= 1--      -2.169                  0.818                  0.476
 Raman3 Fr= 1--     270.806                315.395                147.735
 ROA3   Fr= 1--   -1698.031                857.428                 55.494
 CID3   Fr= 1--      -6.270                  2.719                  0.376
 RC180  Fr= 1--       0.713                  0.507                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    133.4024                55.3566               202.4750
  Dep-P Fr= 1--      0.0924                 0.6499                 0.2427
  Dep-U Fr= 1--      0.1691                 0.7878                 0.3906
 Alpha2 Fr= 1--      2.3795                 0.0995                 2.4492
 Beta2  Fr= 1--      3.7608                 7.2683                13.1803
 AlphaG Fr= 1--      0.3228                 0.1240                 0.0047
 Gamma2 Fr= 1--      1.2987                -0.1544                -2.2959
 Delta2 Fr= 1--     -0.6255                 2.1669                -2.0963
 Raman1 Fr= 1--     533.610                221.426                809.900
 ROA1   Fr= 1--     104.663                 54.524               -287.487
 CID1   Fr= 1--       0.196                  0.246                 -0.355
 Raman2 Fr= 1--      45.130                 87.219                158.163
 ROA2   Fr= 1--      36.174                -21.040                -38.330
 CID2   Fr= 1--       0.802                 -0.241                 -0.242
 Raman3 Fr= 1--      90.260                174.439                316.327
 ROA3   Fr= 1--     104.663                 54.524               -287.487
 CID3   Fr= 1--       1.160                  0.313                 -0.909
 RC180  Fr= 1--      -0.662                  0.576                 -0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
     X                XXX   X                                          X   X                XXX      X X   X   X             X       
     X                 XX                                              X   X                XXX      X X   X   X                     
     X                 X                                               X                    XXX      X X       X                     
                                                                       X                     XX      X X       X                     
                                                                       X                     X       X X       X                     
                                                                       X                     X       X                               
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.839288D+02  0.126878D+01 -0.162665D+01
      2   0.126878D+01  0.857446D+02  0.140936D+01
      3  -0.162665D+01  0.140936D+01  0.757690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.168520D+01 -0.382383D+01 -0.116256D+01
      2   0.161540D+02 -0.223255D+01  0.259888D+02
      3   0.136454D+02 -0.270249D+02  0.235744D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.751860D+02 -0.295450D+02  0.295759D+02
      2  -0.387924D+02  0.134656D+02 -0.243303D+02
      3  -0.363937D+02  0.160794D+02 -0.524561D+01
      4  -0.186483D+02  0.341204D+02  0.519327D+01
      5   0.203329D+02  0.477883D+01  0.416565D+02
      6   0.887607D+01 -0.166547D+02  0.950212D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.664745D+01  0.216709D+01 -0.398521D+01  0.280024D+01  0.100061D+01
      2   0.216709D+01  0.120080D+01  0.544818D-01  0.100061D+01 -0.678513D+01
      3  -0.398521D+01  0.544818D-01  0.201679D+01  0.287888D+00 -0.106038D+01
                 6             7             8             9            10 
      1   0.287888D+00 -0.279303D+01  0.119315D+00  0.253220D+01  0.608269D+01
      2  -0.106038D+01  0.119315D+00  0.153310D+00  0.328952D+01 -0.358798D+01
      3   0.285917D+01  0.253220D+01  0.328952D+01  0.672014D+00  0.337575D+01
                11            12            13            14            15 
      1  -0.358798D+01  0.337575D+01 -0.505932D+01 -0.244507D+01  0.873082D+00
      2  -0.115246D+01  0.170278D+00 -0.244507D+01  0.426686D+01  0.118665D+01
      3   0.170278D+00 -0.291278D+01  0.873082D+00  0.118665D+01 -0.426413D+01
                16            17            18            19            20 
      1   0.625205D+01  0.340817D+00 -0.373107D+01 -0.532834D+01  0.565764D+01
      2   0.340817D+00  0.129597D+01 -0.485345D+01  0.565764D+01  0.245492D+01
      3  -0.373107D+01 -0.485345D+01 -0.995963D+00 -0.252457D+01 -0.132023D+01
                21            22            23            24            25 
      1  -0.252457D+01  0.280235D+01  0.169484D+01 -0.861645D-01 -0.375146D+01
      2  -0.132023D+01  0.169484D+01 -0.155218D+01  0.810402D+00 -0.203439D+01
      3   0.122576D+01 -0.861645D-01  0.810402D+00  0.312741D+01  0.189176D+01
                26            27            28            29            30 
      1  -0.203439D+01  0.189176D+01 -0.111236D+01 -0.300148D+01  0.321076D+00
      2  -0.196302D+01  0.398251D+01 -0.300148D+01  0.165746D+00  0.148489D+01
      3   0.398251D+01  0.393665D+01  0.321076D+00  0.148489D+01  0.184790D-01
                31            32            33            34            35 
      1  -0.298891D+01 -0.119923D+01  0.280093D+01 -0.234945D+01  0.229666D+01
      2  -0.119923D+01 -0.980540D+00  0.143207D+01  0.229666D+01  0.102624D+01
      3   0.280093D+01  0.143207D+01 -0.348334D+01  0.934078D+00 -0.237786D+01
                36            37            38            39            40 
      1   0.934078D+00  0.374089D+01  0.172956D+01 -0.303164D+01  0.126873D+01
      2  -0.237786D+01  0.172956D+01  0.259648D+01 -0.184624D+01  0.174463D+01
      3  -0.310394D+01 -0.303164D+01 -0.184624D+01  0.121457D+01 -0.233582D+01
                41            42            43            44            45 
      1   0.174463D+01 -0.233582D+01 -0.441014D+01 -0.342264D+01  0.565704D+00
      2  -0.261695D+01 -0.270925D+01 -0.342264D+01 -0.462056D+01 -0.124810D+00
      3  -0.270925D+01  0.735295D+00  0.565704D+00 -0.124810D+00 -0.262709D+01
                46            47            48            49            50 
      1  -0.682187D+01  0.340580D+01 -0.215512D+01  0.220130D+01  0.206594D+01
      2   0.340580D+01  0.162186D+01  0.137475D+00  0.206594D+01 -0.324946D+01
      3  -0.215512D+01  0.137475D+00  0.288837D+01 -0.222420D+00 -0.413563D+00
                51            52            53            54            55 
      1  -0.222420D+00 -0.264827D+01  0.154791D-01  0.243189D+01  0.444428D+01
      2  -0.413563D+00  0.154791D-01  0.143354D+00  0.482129D+01 -0.271158D+01
      3   0.385647D+01  0.243189D+01  0.482129D+01  0.335832D+01  0.282381D+01
                56            57            58            59            60 
      1  -0.271158D+01  0.282381D+01 -0.150769D+01  0.468269D+00 -0.393020D+00
      2   0.113226D+01 -0.646783D-01  0.468269D+00  0.328238D+01 -0.147789D+01
      3  -0.646783D-01  0.152294D+01 -0.393020D+00 -0.147789D+01 -0.140999D+01
                61            62            63            64            65 
      1   0.295197D+01 -0.512269D+00  0.181580D+01 -0.347618D+01  0.197341D+01
      2  -0.512269D+00 -0.177758D+01 -0.104469D+01  0.197341D+01 -0.169445D+01
      3   0.181580D+01 -0.104469D+01 -0.336481D+01  0.299246D+01 -0.736876D+00
                66            67            68            69            70 
      1   0.299246D+01  0.321048D+01 -0.115155D+01 -0.137580D+01  0.484189D+01
      2  -0.736876D+00 -0.115155D+01  0.385759D+01  0.147729D+01 -0.580285D+00
      3  -0.175805D+01 -0.137580D+01  0.147729D+01  0.270410D+01 -0.298844D+01
                71            72            73            74            75 
      1  -0.580285D+00 -0.298844D+01  0.346111D+00 -0.798831D+00 -0.992096D+00
      2   0.299528D+01  0.189079D+01 -0.798831D+00 -0.252850D+00 -0.132015D-01
      3   0.189079D+01  0.787447D+01 -0.992096D+00 -0.132015D-01 -0.597710D+00
                76            77            78            79            80 
      1  -0.113567D+01 -0.301970D+00 -0.214223D+00 -0.101825D+01  0.159807D+00
      2  -0.301970D+00 -0.798107D+00 -0.162661D+01  0.159807D+00 -0.167493D+01
      3  -0.214223D+00 -0.162661D+01 -0.205240D+01 -0.991384D+00 -0.164743D+01
                81            82            83            84            85 
      1  -0.991384D+00  0.326903D+01  0.155187D+01 -0.257275D+01  0.263692D+01
      2  -0.164743D+01  0.155187D+01  0.170109D+01 -0.747834D+00  0.175064D+01
      3  -0.772237D+01 -0.257275D+01 -0.747834D+00  0.267274D+01 -0.966875D+00
                86            87            88            89            90 
      1   0.175064D+01 -0.966875D+00 -0.378079D+01 -0.781951D+00  0.288075D+01
      2   0.141044D+01 -0.150999D+01 -0.781951D+00 -0.187577D+01  0.190227D+01
      3  -0.150999D+01  0.204687D+01  0.288075D+01  0.190227D+01 -0.401081D+01
                91            92            93            94            95 
      1  -0.583629D+01 -0.423621D+01  0.177056D+01 -0.254466D+01 -0.275820D+01
      2  -0.423621D+01 -0.440304D+01  0.136901D+01 -0.275820D+01 -0.429089D+01
      3   0.177056D+01  0.136901D+01 -0.156407D+01  0.903686D+00  0.999903D+00
                96            97            98            99           100 
      1   0.903686D+00  0.374058D+01  0.300091D+01 -0.224921D+01 -0.498092D+01
      2   0.999903D+00  0.300091D+01  0.347226D+01 -0.193055D+01  0.332893D+01
      3  -0.104350D+01 -0.224921D+01 -0.193055D+01  0.182070D+01 -0.293214D+01
               101           102           103           104           105 
      1   0.332893D+01 -0.293214D+01  0.218781D+01 -0.163644D+01  0.823883D+00
      2  -0.267999D+01  0.162226D+01 -0.163644D+01  0.242191D+01 -0.100219D+01
      3   0.162226D+01 -0.215811D+01  0.823883D+00 -0.100219D+01  0.802140D+00
               106           107           108           109           110 
      1  -0.385814D+01  0.160018D+01 -0.222295D+01 -0.218690D-01  0.711632D+00
      2   0.160018D+01 -0.216869D+01  0.160666D+01  0.711632D+00 -0.394297D+00
      3  -0.222295D+01  0.160666D+01 -0.245840D+01  0.606684D-01 -0.533107D+00
               111           112           113           114           115 
      1   0.606684D-01  0.938143D+00 -0.403568D+00 -0.610036D+00  0.123473D+01
      2  -0.533107D+00 -0.403568D+00  0.290643D+01  0.106256D+01 -0.573682D+00
      3   0.670325D-01 -0.610036D+00  0.106256D+01  0.203323D+01 -0.126771D+00
               116           117           118           119           120 
      1  -0.573682D+00 -0.126771D+00  0.922008D-01 -0.870599D+00 -0.778233D+00
      2   0.326803D+01  0.178223D+01 -0.870599D+00 -0.981713D+00 -0.552710D+00
      3   0.178223D+01  0.367565D+01 -0.778233D+00 -0.552710D+00 -0.119634D+01
               121           122           123           124           125 
      1  -0.644301D+00 -0.286520D+00 -0.114763D+00 -0.116954D+01  0.119302D+00
      2  -0.286520D+00 -0.240716D+01 -0.202191D+01  0.119302D+00 -0.346538D+01
      3  -0.114763D+00 -0.202191D+01 -0.242140D+01 -0.572900D+00 -0.359326D+01
               126           127           128           129           130 
      1  -0.572900D+00  0.938479D+01 -0.362940D+01  0.915055D+00 -0.165994D+01
      2  -0.359326D+01 -0.362940D+01  0.274619D+01 -0.148394D+00  0.160704D+01
      3  -0.656771D+01  0.915055D+00 -0.148394D+00  0.103521D+01 -0.108627D+00
               131           132           133           134           135 
      1   0.160704D+01 -0.108627D+00  0.131873D+01 -0.508069D+00  0.984376D+00
      2  -0.112709D+01  0.196669D+00 -0.508069D+00  0.583469D+00 -0.945971D+00
      3   0.196669D+00 -0.472341D+00  0.984376D+00 -0.945971D+00  0.134853D+00
               136           137           138           139           140 
      1  -0.150564D+01 -0.112033D+01  0.121353D+01 -0.110454D+01 -0.907005D+00
      2  -0.112033D+01 -0.206560D+01  0.766246D+00 -0.907005D+00 -0.289446D+01
      3   0.121353D+01  0.766246D+00 -0.167788D+01  0.527725D+00  0.137432D+01
               141           142           143           144           145 
      1   0.527725D+00  0.167857D+01  0.462898D+00 -0.119447D+01  0.650014D+00
      2   0.137432D+01  0.462898D+00  0.276024D+01 -0.217989D+01  0.874334D+00
      3  -0.171647D+01 -0.119447D+01 -0.217989D+01  0.259961D+01  0.428300D+00
               146           147           148           149           150 
      1   0.874334D+00  0.428300D+00  0.138376D+01  0.313349D+00  0.544173D+00
      2  -0.123483D+00 -0.400997D-01  0.313349D+00  0.884685D+01  0.167248D+01
      3  -0.400997D-01 -0.365085D+00  0.544173D+00  0.167248D+01  0.177255D+01
               151           152           153           154           155 
      1   0.824807D-01  0.689638D-01 -0.316520D+00 -0.164860D+01 -0.777234D+00
      2   0.689638D-01  0.586026D+00  0.746899D+00 -0.777234D+00 -0.107872D+01
      3  -0.316520D+00  0.746899D+00  0.340603D+00  0.150716D+01  0.420046D+00
               156           157           158           159           160 
      1   0.150716D+01 -0.117486D+01 -0.638459D+00  0.285137D+00  0.172068D+01
      2   0.420046D+00 -0.638459D+00 -0.446639D+00  0.111489D+01  0.376957D+00
      3  -0.274934D+01  0.285137D+00  0.111489D+01 -0.213735D+01 -0.129905D+01
               161           162           163           164           165 
      1   0.376957D+00 -0.129905D+01  0.936951D+01 -0.666612D+00  0.356338D+01
      2   0.107479D+01 -0.916849D+00 -0.666612D+00  0.120725D+01 -0.213136D-01
      3  -0.916849D+00  0.495676D+01  0.356338D+01 -0.213136D-01  0.231749D+01
               166           167           168           169           170 
      1  -0.160985D+01  0.108268D+01 -0.618758D+00  0.195740D+01 -0.148004D+00
      2   0.108268D+01  0.156147D+00  0.494557D+00 -0.148004D+00  0.186975D+00
      3  -0.618758D+00  0.494557D+00 -0.936320D+00  0.165621D+01 -0.407421D+00
               171 
      1   0.165621D+01
      2  -0.407421D+00
      3   0.148148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.625801D+01  0.169856D+01 -0.119606D+01  0.373923D+00 -0.110697D+02
      2   0.388765D+00 -0.237446D+01  0.135636D+02 -0.264015D+01 -0.361820D+01
      3  -0.894011D+01 -0.317621D+01 -0.341539D+01  0.167366D+01  0.134849D+02
                 6             7             8             9            10 
      1  -0.720895D+01 -0.138768D+01 -0.793211D+00  0.373608D+01  0.151320D+01
      2   0.531104D+01  0.766037D+01  0.638169D+01 -0.216283D+01  0.116053D+02
      3   0.202653D+01 -0.232785D+01 -0.488458D+00 -0.423352D+01  0.524798D+01
                11            12            13            14            15 
      1  -0.140255D+00 -0.510519D+00 -0.151066D+01 -0.905000D+00 -0.340838D+01
      2   0.137463D+00 -0.272290D+00 -0.382277D+01  0.763097D+00 -0.419872D+01
      3  -0.540874D+00 -0.218441D+01  0.583915D+01 -0.783389D+01  0.983432D+00
                16            17            18            19            20 
      1  -0.532987D+00  0.288591D+01  0.103403D+01 -0.384847D+01 -0.334711D+01
      2  -0.344621D+01 -0.478321D+01 -0.363470D+01 -0.647693D+01  0.927525D+00
      3   0.341366D+01  0.676692D+00  0.547489D+01 -0.726664D+00 -0.123036D+01
                21            22            23            24            25 
      1  -0.436154D+00 -0.105199D+01  0.534587D+01 -0.279534D+01  0.741532D+00
      2   0.112785D+01  0.117532D+01 -0.104864D+01  0.226496D+01 -0.105503D+02
      3   0.182872D+01  0.255010D+01 -0.123697D+01  0.167543D+01 -0.203228D+01
                26            27            28            29            30 
      1   0.384111D+01 -0.537625D+01  0.152634D+01  0.533007D+01  0.278407D+01
      2  -0.517998D+00  0.248104D+00 -0.104143D+02 -0.438446D+01  0.253915D+01
      3   0.603226D+00  0.897835D+00 -0.908651D+01 -0.460766D+01  0.103707D+01
                31            32            33            34            35 
      1   0.270276D+01 -0.601102D+01 -0.143496D+01  0.101591D+01  0.252953D-01
      2   0.229320D+01  0.217035D+01 -0.119700D+01 -0.501782D+01 -0.205909D+01
      3   0.232933D+01  0.568258D+01 -0.531785D+01 -0.642305D+01 -0.132161D+02
                36            37            38            39            40 
      1   0.434101D+01 -0.333374D+01 -0.102109D+01  0.573740D-01 -0.894691D+00
      2   0.122628D+02  0.517505D+01  0.420028D+01 -0.542928D+00 -0.622315D+00
      3   0.106807D+00 -0.585368D+00  0.826205D+00  0.259658D+00  0.630407D+01
                41            42            43            44            45 
      1   0.162446D+00 -0.460367D+01  0.374464D+01  0.479983D+01 -0.539518D+01
      2   0.378517D+01  0.304972D+00 -0.480070D+01  0.536077D+00  0.520790D+01
      3  -0.605361D+01 -0.203020D+01  0.160676D+01 -0.804569D+00 -0.299777D+01
                46            47            48            49            50 
      1  -0.538712D+01 -0.639064D+00  0.554688D+01 -0.111773D+01  0.115478D+01
      2  -0.687460D+01  0.890731D+00  0.588383D+01  0.205750D+00  0.308787D+00
      3   0.595626D+01 -0.136397D+02  0.368959D+01 -0.692521D+01  0.251002D+01
                51            52            53            54            55 
      1   0.609858D+01  0.329308D+01  0.126551D+02  0.529899D+01 -0.375932D+01
      2   0.634528D+01  0.131366D+01  0.838256D+01  0.623984D+01  0.574143D+01
      3   0.804278D+00  0.458032D+01 -0.263396D-01 -0.134339D+02  0.101829D+02
                56            57            58            59            60 
      1   0.116191D+01 -0.561084D+01  0.825050D-01 -0.188049D+01  0.366165D+00
      2  -0.160994D+01  0.517797D+01 -0.138395D+00  0.216747D+01 -0.349770D+00
      3  -0.112956D+02  0.720724D+01  0.139202D+01  0.347062D+01 -0.121885D+01
                61            62            63            64            65 
      1  -0.539267D+01  0.101595D+02  0.100109D+02  0.471657D+00 -0.431658D+01
      2   0.646275D+00  0.937326D+00  0.204979D+01  0.237357D+00  0.245304D+01
      3   0.464626D+01 -0.190812D+01  0.474871D+01  0.335838D+01 -0.566915D+01
                66            67            68            69            70 
      1   0.156452D+00 -0.102747D+01  0.306074D+01 -0.137651D+01 -0.211579D+00
      2   0.516195D+01  0.649085D+00 -0.444494D+01 -0.213950D+01 -0.207563D+01
      3  -0.138853D+01  0.190876D+01  0.473463D+01  0.433790D+01  0.535316D+01
                71            72            73            74            75 
      1   0.736854D+01  0.564392D-01  0.113634D+01  0.432731D+00  0.452116D+00
      2  -0.310414D+01 -0.142628D+02  0.875725D-01 -0.495805D+00 -0.744539D-01
      3   0.930336D+01  0.232449D+01 -0.541124D-01 -0.130799D+01 -0.879611D+00
                76            77            78            79            80 
      1   0.223183D+00  0.202150D+01  0.116702D+01 -0.149358D+00  0.517689D+01
      2  -0.161903D+01 -0.119986D+00 -0.198680D+00 -0.299964D+01  0.393850D+00
      3   0.147200D+01 -0.422928D+00 -0.790662D+00  0.617846D+00 -0.360806D+00
                81            82            83            84            85 
      1   0.309914D+01 -0.683214D+00 -0.180030D+01 -0.256853D+00 -0.350081D+00
      2  -0.179760D+00 -0.107667D+01 -0.150055D+00  0.417079D+01  0.189189D+01
      3  -0.118286D+01 -0.140852D+01 -0.418523D+01  0.743891D+00  0.842199D+00
                86            87            88            89            90 
      1  -0.886055D+00 -0.921454D+00 -0.168590D+00  0.259206D+01 -0.168550D+00
      2  -0.924966D+00  0.292610D+01 -0.142262D+01  0.234581D+01 -0.427843D+01
      3  -0.226554D+01  0.171119D+01 -0.143740D+01  0.321753D+01 -0.177383D+01
                91            92            93            94            95 
      1   0.366957D+01  0.229687D+01 -0.350776D+01  0.272031D+01  0.274292D+01
      2  -0.289564D+01 -0.311781D+01  0.387125D+01 -0.213092D+01 -0.303940D+01
      3   0.191184D+01 -0.291541D+01 -0.749665D+00  0.759192D+00 -0.315662D+01
                96            97            98            99           100 
      1  -0.240584D+01 -0.323946D+01 -0.175270D+01  0.346792D+01  0.320475D+01
      2   0.285017D+01  0.323785D+01  0.358760D+01 -0.481112D+01 -0.582389D+01
      3   0.397421D+00 -0.672273D+00  0.328677D+01 -0.533630D+00 -0.112839D+02
               101           102           103           104           105 
      1  -0.144458D-01  0.407142D+01 -0.341402D+00 -0.565171D+00 -0.141486D+01
      2   0.252811D+01 -0.511222D+00  0.216853D+01 -0.146406D+01  0.185338D+00
      3   0.458099D+01 -0.640795D+01  0.584003D+01 -0.249646D+01  0.166765D+01
               106           107           108           109           110 
      1   0.312836D+01 -0.482122D-01  0.289498D+01 -0.103215D+01  0.112529D+01
      2  -0.447979D+01  0.113513D+01 -0.102914D+01 -0.597260D-01  0.435208D+00
      3  -0.900407D+01  0.244492D+01 -0.450023D+01  0.882428D-02 -0.904296D-01
               111           112           113           114           115 
      1   0.892817D+00  0.173943D+01 -0.566808D+01 -0.646945D+01  0.133284D+01
      2  -0.820382D-01  0.489844D+00 -0.109029D+01 -0.127700D+01 -0.150863D+01
      3   0.819617D+00  0.211998D+01 -0.677650D+00 -0.643657D+00  0.431740D+01
               116           117           118           119           120 
      1  -0.605485D+01 -0.132246D+02 -0.703433D+00  0.245260D+00 -0.248777D+01
      2  -0.134233D+01 -0.150012D+01 -0.166983D+01 -0.112636D+01 -0.157119D+01
      3   0.402354D-01 -0.131921D+00  0.225440D+01  0.233943D+01  0.204313D+01
               121           122           123           124           125 
      1  -0.502093D-01 -0.174314D+01 -0.513934D+01 -0.173080D+01 -0.165184D+01
      2  -0.120001D+01 -0.342452D+01 -0.395317D+01 -0.426525D+01 -0.519377D+01
      3   0.338743D+01  0.442068D+01  0.394763D+01  0.316005D+01  0.556115D+01
               126           127           128           129           130 
      1  -0.110313D+02  0.320313D+01 -0.935876D+00  0.284736D+01 -0.101676D+01
      2  -0.104711D+02  0.485905D+01 -0.130776D+01  0.499571D+01 -0.622494D+00
      3   0.779252D+01 -0.110376D+02 -0.223825D+01 -0.165607D+01  0.234504D+01
               131           132           133           134           135 
      1   0.816101D+00 -0.197307D+01  0.153204D+01 -0.728636D+00  0.835351D+00
      2   0.119585D+01 -0.146641D+01  0.118510D+01 -0.173336D+01  0.978470D+00
      3  -0.453641D+00 -0.290504D+00 -0.195551D+01 -0.767475D+00  0.587455D+00
               136           137           138           139           140 
      1   0.291504D+01  0.137067D+01 -0.431443D+01  0.166815D+01  0.320976D+01
      2   0.295607D+01  0.980009D+00 -0.159160D+01  0.137730D+01  0.210127D+01
      3   0.716903D+01  0.486596D+01 -0.414398D+01  0.624337D+01  0.644117D+01
               141           142           143           144           145 
      1  -0.541190D+01 -0.279186D+01 -0.269420D+01  0.630171D+01  0.770258D+00
      2  -0.226254D+01 -0.380329D+01 -0.331914D+01  0.342970D+01  0.107268D+01
      3  -0.418326D+01 -0.561790D+01 -0.527440D+01  0.656020D+01 -0.123721D+01
               146           147           148           149           150 
      1  -0.104175D+01  0.726266D+00 -0.136883D+01  0.119577D+02 -0.274342D+01
      2  -0.981478D+00 -0.586199D+00 -0.165060D+01  0.370951D+01  0.269045D+01
      3   0.714178D+00  0.587690D-01  0.432545D+01 -0.163809D+02 -0.158958D+01
               151           152           153           154           155 
      1   0.877072D+00  0.852012D+00  0.731365D+00 -0.246005D+01 -0.303345D+01
      2  -0.185759D+01  0.127964D+01  0.597635D+00  0.841829D+01  0.249737D+01
      3  -0.192923D+00 -0.504159D+00 -0.199250D+01  0.483436D+00  0.439957D+00
               156           157           158           159           160 
      1   0.203402D+01 -0.118870D+01 -0.191068D+01  0.167788D+01  0.202119D+01
      2  -0.643449D+01  0.314014D+01  0.303545D+01 -0.406287D+01 -0.813485D+01
      3   0.494975D+00  0.150942D+01 -0.109963D-01 -0.150164D+01  0.270821D+00
               161           162           163           164           165 
      1   0.455220D+01 -0.462061D+01 -0.346078D+01  0.262854D+01 -0.124838D+01
      2  -0.283822D+01  0.107057D+02 -0.606244D+01  0.120421D+01  0.305787D+01
      3  -0.787191D+00  0.384912D+00  0.715238D+01 -0.574250D+01  0.193798D+01
               166           167           168           169           170 
      1   0.122061D+01 -0.538306D+00  0.113878D+00 -0.144709D+01  0.168795D+01
      2   0.105561D+01 -0.619427D-01 -0.177264D+01 -0.164479D+01 -0.723190D+00
      3  -0.195219D+01  0.879337D+00 -0.798449D+00  0.169698D+01 -0.996302D+00
               171 
      1  -0.128645D+01
      2   0.142330D+01
      3   0.190229D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.291221D+02  0.979628D+01 -0.249527D+02  0.121979D+02  0.115509D+02
      2   0.246261D+02 -0.356990D+01  0.532330D+01 -0.626973D+01 -0.173690D+02
      3   0.449603D+01 -0.622637D+01  0.196294D+02 -0.592820D+01  0.581816D+01
      4   0.404823D+01  0.556161D+01 -0.125346D+01  0.478918D+01 -0.217794D+02
      5  -0.264724D+02  0.523100D+01 -0.378850D+01  0.737337D+01 -0.164056D+01
      6   0.231685D+01  0.285055D+01 -0.190313D+00  0.164878D+01 -0.108580D+02
                 6             7             8             9            10 
      1  -0.225661D+01 -0.185331D+02 -0.293219D+01  0.662887D+01  0.869470D+01
      2  -0.871714D+01  0.408801D+01 -0.656336D+01 -0.156857D+01 -0.377949D+01
      3   0.109738D+02  0.144451D+02  0.949554D+01 -0.506031D+01 -0.491520D+01
      4  -0.292547D+01 -0.145898D+00  0.773948D+00  0.119927D+02 -0.134365D+02
      5   0.743962D+01 -0.110173D+01  0.920046D+01  0.752554D+01  0.182478D+02
      6   0.104267D+01  0.185879D+01  0.317500D+00  0.827136D+01  0.587892D+01
                11            12            13            14            15 
      1  -0.135372D+02  0.147537D+02 -0.102573D+02 -0.249705D+01  0.315235D+01
      2   0.124701D+02 -0.827736D+01  0.116274D+02 -0.415222D+01 -0.964077D+00
      3   0.106711D+01 -0.647633D+01 -0.137006D+01  0.664928D+01 -0.218827D+01
      4  -0.237561D+01  0.226585D+01 -0.526774D+01  0.128466D+02  0.489512D+01
      5   0.292842D+01 -0.104297D+02 -0.593350D+00  0.781390D+01 -0.131436D+02
      6  -0.124122D+01 -0.488123D+00  0.173890D+01 -0.290514D+01 -0.170009D+01
                16            17            18            19            20 
      1   0.112195D+02  0.118021D+01 -0.130036D+02 -0.133480D+02 -0.839140D+01
      2  -0.769445D+01 -0.289990D+01  0.959754D+01  0.990017D+01  0.890817D+01
      3  -0.352504D+01  0.171969D+01  0.340603D+01  0.344782D+01 -0.516768D+00
      4  -0.214405D+01 -0.125989D+01 -0.135574D+02 -0.189633D+00 -0.473274D+01
      5  -0.123239D+02 -0.140831D+02  0.703814D+00 -0.687999D+01 -0.230110D+00
      6  -0.286993D+01  0.953807D+00  0.906019D+00 -0.786632D+01 -0.557305D+01
                21            22            23            24            25 
      1   0.415787D+01  0.280276D+01  0.971178D+01  0.252320D+01  0.135238D+01
      2   0.118625D+01 -0.146683D+01 -0.127593D+02  0.689980D+01  0.140848D+01
      3  -0.534412D+01 -0.133592D+01  0.304749D+01 -0.942300D+01 -0.276086D+01
      4   0.496161D+00 -0.105428D+02 -0.468811D+01  0.263590D+01  0.734656D+01
      5   0.371317D-01  0.593313D+01 -0.516796D+00  0.392494D+00  0.238641D+01
      6   0.250723D+01  0.273309D+01  0.104521D+02 -0.827908D+01 -0.153261D-01
                26            27            28            29            30 
      1   0.872411D+01  0.772605D+01  0.103003D+01  0.337809D+01 -0.168320D+01
      2   0.370473D+01  0.111151D+02  0.103660D+01 -0.314638D+01 -0.736842D+01
      3  -0.124288D+02 -0.188412D+02 -0.206662D+01 -0.231706D+00  0.905162D+01
      4   0.397252D+01 -0.217435D+01  0.643010D+01  0.649466D+00 -0.915191D+01
      5  -0.202156D+01 -0.478302D+01  0.425345D+01 -0.787274D+01 -0.373400D+01
      6   0.202650D+01 -0.562944D+01 -0.371464D+01 -0.231091D+01  0.208357D+01
                31            32            33            34            35 
      1   0.843156D+01  0.621668D+01 -0.776978D+01  0.978781D+01 -0.501466D+01
      2  -0.730781D+01 -0.101882D+02  0.100853D+02 -0.100594D+02 -0.234623D+01
      3  -0.112375D+01  0.397153D+01 -0.231554D+01  0.271626D+00  0.736088D+01
      4  -0.147375D+01  0.167752D+00 -0.668949D+01 -0.135455D+02  0.259763D+01
      5  -0.201313D+02 -0.610335D+01  0.559131D+01 -0.118743D+02  0.440097D+01
      6  -0.591255D+01 -0.896364D+01 -0.403434D+00 -0.263966D+00 -0.276908D+01
                36            37            38            39            40 
      1  -0.136151D+01 -0.340508D+01 -0.228700D+01  0.891437D+01 -0.570315D+01
      2   0.910183D+01 -0.325471D+00 -0.139440D+01 -0.189402D+01  0.298549D+01
      3  -0.774032D+01  0.373055D+01  0.368140D+01 -0.702035D+01  0.271766D+01
      4   0.625344D+01 -0.951372D+01 -0.594540D+01  0.130990D+02  0.208452D+01
      5   0.191384D+02  0.133110D+02  0.920082D+01  0.153584D+01  0.125277D+02
      6  -0.358160D+01  0.873213D+01  0.793505D+01 -0.190485D+01  0.759314D+01
                41            42            43            44            45 
      1  -0.177340D+02  0.449086D+01  0.129023D+02  0.705657D+01 -0.487395D+01
      2   0.258486D+02  0.363274D+00 -0.185798D+01  0.325656D+01 -0.314430D+00
      3  -0.811463D+01 -0.485413D+01 -0.110443D+02 -0.103131D+02  0.518838D+01
      4   0.777015D+01  0.118465D+02  0.206843D+02  0.186230D+02 -0.122409D+01
      5   0.124027D+02  0.196728D+01  0.259447D+01  0.248930D+01  0.111085D+02
      6   0.101278D+02  0.601866D+01 -0.131644D+01  0.704407D+01  0.871744D+01
                46            47            48            49            50 
      1  -0.282799D+02  0.228093D+02 -0.904609D+01  0.145060D+02  0.123661D+01
      2   0.708552D+01 -0.160386D+02  0.786788D+01 -0.123078D+02  0.105121D+02
      3   0.211944D+02 -0.677073D+01  0.117821D+01 -0.219818D+01 -0.117487D+02
      4   0.282991D+02 -0.641042D+01  0.675632D+01 -0.327420D+01 -0.137392D+02
      5  -0.571764D+01  0.656630D+00  0.886738D+01  0.553594D+00 -0.394974D+01
      6   0.545946D+01  0.193431D+01 -0.115471D+02  0.235330D-03  0.292872D+01
                51            52            53            54            55 
      1   0.146361D+01 -0.102256D+02  0.284605D+01  0.222375D+02  0.950994D+01
      2   0.466689D+01  0.739100D+01  0.491699D+01 -0.147045D+02 -0.460060D+01
      3  -0.613050D+01  0.283464D+01 -0.776304D+01 -0.753298D+01 -0.490934D+01
      4  -0.899771D+00  0.807824D+01  0.162261D+01  0.504302D+01  0.162511D+02
      5   0.105264D+02  0.779368D+01  0.124381D+02  0.932781D+01 -0.103371D+02
      6  -0.148992D+02 -0.797515D+01 -0.172670D+02 -0.121610D+02  0.136772D+02
                56            57            58            59            60 
      1   0.354186D+01 -0.429970D+01 -0.102857D+01 -0.181882D+02  0.556606D+01
      2  -0.166135D+00  0.529159D+01  0.456855D+01  0.297687D+02 -0.107045D+02
      3  -0.337572D+01 -0.991888D+00 -0.353998D+01 -0.115805D+02  0.513846D+01
      4  -0.562261D+01  0.973233D+01  0.285087D+01  0.789431D+01 -0.204499D+01
      5   0.619730D+01 -0.476077D+01  0.198314D+01 -0.236028D+01  0.118841D+01
      6  -0.229799D+01  0.683864D+01 -0.426916D+01 -0.160825D+02  0.299089D+01
                61            62            63            64            65 
      1  -0.327056D+00  0.794266D+01 -0.585734D+01  0.223309D+02 -0.321933D+01
      2   0.442678D+01 -0.114159D+02 -0.961052D+01 -0.166150D+02  0.113271D+01
      3  -0.409973D+01  0.347322D+01  0.154679D+02 -0.571585D+01  0.208662D+01
      4   0.783873D+01  0.990390D+00  0.917215D+01 -0.963763D+01  0.117578D+02
      5  -0.231675D+01  0.394888D+01 -0.393374D+01 -0.171652D+02  0.661025D+01
      6   0.919813D+01 -0.311874D+00 -0.143668D+02  0.362000D+01 -0.152466D+01
                66            67            68            69            70 
      1  -0.925385D+01 -0.860758D+01 -0.274644D+01  0.226378D+01 -0.114741D+02
      2   0.114445D+02  0.565785D+01  0.408337D+01 -0.625741D+01  0.115423D+02
      3  -0.219061D+01  0.294972D+01 -0.133693D+01  0.399364D+01 -0.682101D-01
      4   0.583316D+01  0.108681D+02 -0.119790D+02 -0.692818D+01  0.681195D+01
      5   0.161717D+02  0.100118D+02 -0.672469D+01 -0.819386D+01  0.222325D+02
      6  -0.377424D+01 -0.331622D+01  0.415950D+01  0.100783D+02 -0.202211D+01
                71            72            73            74            75 
      1  -0.272009D+01 -0.271823D+01  0.742694D+00  0.809093D+00 -0.783418D-01
      2   0.138479D+00 -0.231080D+02 -0.463484D+01 -0.111568D+01 -0.221626D+01
      3   0.258161D+01  0.258262D+02  0.389214D+01  0.306582D+00  0.229460D+01
      4  -0.113343D+02 -0.952324D+01  0.176748D+00  0.227115D+01  0.409917D+00
      5  -0.688258D+01 -0.307351D+02  0.260006D+01  0.138247D+01  0.720964D+01
      6   0.812122D+01  0.759095D+01  0.142149D+01  0.519412D-01  0.305972D+00
                76            77            78            79            80 
      1   0.299240D+00 -0.459378D+01 -0.497155D+01 -0.130472D+01 -0.292572D+01
      2  -0.869354D+00 -0.664465D+00 -0.365786D+01 -0.165214D+01 -0.482046D+01
      3   0.570114D+00  0.525824D+01  0.862941D+01  0.295686D+01  0.774618D+01
      4   0.214233D+01  0.177196D+00  0.373038D+00 -0.195033D+00  0.529828D+00
      5   0.214072D+00  0.727990D+00  0.192097D+01  0.517992D+01  0.115554D+01
      6   0.388254D+00  0.351207D+01  0.744203D+01 -0.980507D-01  0.610740D+01
                81            82            83            84            85 
      1  -0.182652D+02  0.177221D+02  0.669463D+01 -0.104346D+02  0.631622D+01
      2  -0.175236D+02 -0.118897D+02 -0.479353D+01  0.775056D+01 -0.367609D+01
      3   0.357888D+02 -0.583233D+01 -0.190110D+01  0.268409D+01 -0.264013D+01
      4   0.165385D+00  0.995656D+01  0.917167D+01 -0.502030D+01  0.977307D+01
      5   0.607269D+01 -0.166340D+02 -0.548749D+01  0.156629D+02 -0.587195D+01
      6   0.378319D+01 -0.384609D+01 -0.257539D+01  0.317920D+01 -0.401154D+01
                86            87            88            89            90 
      1   0.283499D+01 -0.255445D+01 -0.839460D+01 -0.188490D+01  0.506774D+01
      2  -0.826096D-01  0.124941D+01  0.897417D+01  0.376936D+01 -0.119412D+02
      3  -0.275238D+01  0.130505D+01 -0.579567D+00 -0.188447D+01  0.687345D+01
      4   0.739780D+01 -0.680780D+01 -0.417771D+01 -0.599945D+01  0.740138D+01
      5  -0.706513D+01  0.836685D+01  0.164957D+02  0.793182D+01 -0.195004D+02
      6  -0.466009D+01  0.640457D+01  0.358623D+01  0.531199D+01 -0.612691D+01
                91            92            93            94            95 
      1   0.232488D+02  0.135902D+02 -0.720081D+01  0.479828D+01  0.323998D+01
      2  -0.641482D+01 -0.107453D+01  0.219409D+01  0.323337D+01  0.731626D+01
      3  -0.168340D+02 -0.125157D+02  0.500672D+01 -0.803165D+01 -0.105562D+02
      4   0.265489D+02  0.227447D+02 -0.821194D+01  0.160496D+02  0.193602D+02
      5  -0.863760D+01 -0.588876D+01  0.717536D+01 -0.323857D+01 -0.374188D+01
      6  -0.540861D+01 -0.349350D+01  0.384801D+01 -0.298554D+01 -0.420765D+01
                96            97            98            99           100 
      1  -0.732787D+00 -0.107079D+02 -0.586757D+01  0.402116D+01  0.321065D+01
      2  -0.182670D+01  0.279467D+01 -0.152026D+01 -0.940482D+00  0.354111D-01
      3   0.255949D+01  0.791328D+01  0.738783D+01 -0.308068D+01 -0.324606D+01
      4  -0.561214D+01 -0.172448D+02 -0.166443D+02  0.107081D+02 -0.215643D+02
      5   0.357702D+01  0.108096D+02  0.858917D+01 -0.830323D+01  0.153837D+02
      6   0.400736D+01  0.770271D+01  0.815846D+01 -0.722315D+01 -0.151920D+02
               101           102           103           104           105 
      1   0.175319D+01 -0.467035D-01  0.703798D+00 -0.360558D+01  0.166852D+01
      2  -0.529426D+01 -0.125642D+01 -0.419841D+01  0.766675D+01 -0.268504D+01
      3   0.354108D+01  0.130312D+01  0.349461D+01 -0.406117D+01  0.101652D+01
      4   0.172609D+02 -0.128196D+02  0.130950D+02 -0.890132D+01  0.452854D+01
      5  -0.968905D+01  0.121625D+02 -0.547439D+01  0.491096D+01 -0.253960D+01
      6   0.105993D+02 -0.112978D+02  0.648829D+01 -0.738954D+01  0.624528D+01
               106           107           108           109           110 
      1  -0.387800D+00  0.314993D+01 -0.289461D+01 -0.116800D+01 -0.345119D+00
      2  -0.202265D+01 -0.216641D+01 -0.187646D+01  0.169037D+01 -0.281004D+01
      3   0.241045D+01 -0.983517D+00  0.477108D+01 -0.522374D+00  0.315516D+01
      4  -0.139380D+02  0.640818D+01 -0.875291D+01 -0.125597D+01  0.459798D+01
      5   0.124371D+02 -0.576378D+01  0.897142D+01 -0.179214D+00 -0.110294D+01
      6  -0.104605D+02  0.949725D+01 -0.104800D+02 -0.576403D+00 -0.232229D+01
               111           112           113           114           115 
      1   0.205884D+01 -0.688667D+00 -0.703253D+01 -0.124533D+01  0.172276D+00
      2  -0.246683D+01 -0.226105D+01  0.136505D+02  0.745639D+01 -0.250142D+01
      3   0.407993D+00  0.294972D+01 -0.661801D+01 -0.621106D+01  0.232914D+01
      4  -0.884276D-01  0.507253D+01 -0.453673D+01 -0.322687D+01  0.371106D+01
      5   0.240103D+01 -0.753800D+00 -0.136682D+01 -0.108955D+01  0.635322D+00
      6   0.396299D+00 -0.256726D+01  0.454871D+01  0.103438D+02 -0.731750D+00
               116           117           118           119           120 
      1  -0.706787D+01 -0.336862D+01  0.259571D+00 -0.610825D+01 -0.412638D+01
      2   0.146004D+02  0.985226D+01  0.273190D-02  0.487742D+01  0.133060D+01
      3  -0.753256D+01 -0.648363D+01 -0.262303D+00  0.123083D+01  0.279578D+01
      4  -0.547388D+01 -0.198607D+01 -0.198761D+01  0.193746D+01  0.174219D+01
      5  -0.857782D+00 -0.227000D+01 -0.676559D+00  0.258847D+00  0.766006D+00
      6   0.838887D+01  0.152288D+02  0.303747D+01  0.288483D+01  0.534734D+01
               121           122           123           124           125 
      1  -0.318551D+01 -0.107447D+02 -0.835402D+01 -0.402120D+01 -0.111859D+02
      2   0.237720D+01  0.110918D+02  0.714556D+01  0.108595D+01  0.874994D+01
      3   0.808307D+00 -0.347076D+00  0.120847D+01  0.293524D+01  0.243596D+01
      4   0.348920D+01 -0.455823D+01 -0.405579D+01  0.503226D+01 -0.837603D+01
      5   0.865937D+00 -0.508055D+01 -0.691716D+01  0.306070D+01 -0.102664D+02
      6   0.116175D+01  0.120288D+02  0.156709D+02  0.190847D+01  0.188630D+02
               126           127           128           129           130 
      1  -0.192760D+02  0.502522D+02 -0.134165D+02  0.438291D+01 -0.587024D+01
      2   0.210309D+01 -0.187241D+02 -0.697874D+00 -0.199875D+01 -0.236114D+01
      3   0.171729D+02 -0.315281D+02  0.141143D+02 -0.238416D+01  0.823138D+01
      4  -0.632454D+01 -0.402029D+02  0.232070D+02 -0.299633D+01  0.161050D+02
      5  -0.181319D+02  0.625695D+00  0.498930D+00  0.778354D+01  0.958636D-01
      6   0.275031D+02 -0.178720D+01 -0.400871D+00 -0.424678D+01  0.174922D+00
               131           132           133           134           135 
      1   0.512876D+01 -0.793629D-01  0.616922D+01 -0.173648D+01  0.273170D+01
      2   0.245394D+01 -0.111549D+01 -0.236523D+01 -0.124267D+01 -0.122692D+01
      3  -0.758271D+01  0.119486D+01 -0.380399D+01  0.297915D+01 -0.150478D+01
      4  -0.105161D+02  0.163535D+01 -0.614615D+01  0.397413D+01 -0.489543D+01
      5   0.775802D+00 -0.193280D+01  0.757173D+01 -0.402831D+01  0.147464D+01
      6  -0.625526D+00  0.352074D+01 -0.327917D+01  0.457087D+01 -0.340811D+00
               136           137           138           139           140 
      1  -0.210326D+01 -0.940117D+01  0.532635D+01 -0.677909D+01 -0.119557D+02
      2   0.416597D+01  0.109660D+02 -0.460834D+01  0.695851D+01  0.169940D+02
      3  -0.206270D+01 -0.156487D+01 -0.718004D+00 -0.179421D+00 -0.503828D+01
      4   0.271088D+01  0.118171D+01 -0.309006D+01  0.442589D+01 -0.197908D+01
      5   0.135179D+01  0.818724D+00 -0.261185D+01  0.121181D+01  0.274713D+01
      6  -0.482784D+01 -0.414136D+01  0.735035D+01 -0.325547D+01 -0.798465D+01
               141           142           143           144           145 
      1   0.610551D+01  0.625129D+01  0.888274D+01 -0.119668D+02  0.213099D+01
      2  -0.875549D+01 -0.430672D+01 -0.122743D+02  0.798699D+01 -0.124675D-01
      3   0.264997D+01 -0.194457D+01  0.339153D+01  0.397981D+01 -0.211853D+01
      4  -0.828065D-01 -0.556447D+01  0.367644D+01 -0.174780D+00  0.285057D+01
      5  -0.435619D+01 -0.124798D+01 -0.493036D+01  0.502057D+01  0.274962D+01
      6   0.101587D+02  0.504619D+01  0.116850D+02 -0.114869D+02  0.873274D+00
               146           147           148           149           150 
      1   0.278042D+01  0.304625D+01  0.372717D+01 -0.160025D+02 -0.348579D+01
      2  -0.143998D+01 -0.790883D+00 -0.161850D+01  0.287598D+02  0.147641D+01
      3  -0.134044D+01 -0.225537D+01 -0.210867D+01 -0.127573D+02  0.200938D+01
      4   0.467470D+01  0.411394D+00  0.748292D+01  0.292861D+02  0.673363D+01
      5   0.119094D+01  0.138133D+01  0.409231D+01  0.494706D+01  0.560369D+01
      6  -0.560581D+00 -0.247930D+00  0.179265D+01  0.201903D+02  0.965140D+01
               151           152           153           154           155 
      1   0.577842D+00 -0.332043D+01 -0.445817D+01 -0.296880D+01 -0.282199D+01
      2   0.803487D-01  0.154875D+01  0.232879D+01 -0.328478D+01 -0.442188D+00
      3  -0.658190D+00  0.177168D+01  0.212939D+01  0.625358D+01  0.326417D+01
      4  -0.286419D-01  0.141154D+01  0.171223D+01 -0.199810D+01 -0.228968D+01
      5   0.137989D+01  0.222062D+01  0.594752D+00 -0.165214D+01 -0.159500D+01
      6  -0.464123D+00  0.805216D+01  0.272244D+01 -0.155807D+01 -0.377525D+01
               156           157           158           159           160 
      1   0.113928D+02 -0.408459D+01 -0.565715D+01  0.520702D+01  0.942967D+01
      2   0.331378D+01  0.100468D+01  0.204552D+01  0.384107D+01  0.897609D+00
      3  -0.147066D+02  0.307992D+01  0.361163D+01 -0.904809D+01 -0.103273D+02
      4   0.135799D+01 -0.101511D+01 -0.374137D+00  0.224755D+01  0.248457D+01
      5  -0.165147D+00 -0.265652D+01  0.440597D+00 -0.374366D+01  0.448492D+01
      6   0.609917D+00 -0.228657D+01 -0.253845D+01  0.506085D+01  0.891485D+00
               161           162           163           164           165 
      1   0.373926D+01 -0.167408D+02  0.531677D+02 -0.393352D+01  0.149205D+02
      2   0.262208D+01 -0.107569D+02 -0.342141D+02  0.278322D+01 -0.137408D+02
      3  -0.636134D+01  0.274977D+02 -0.189536D+02  0.115030D+01 -0.117966D+01
      4   0.321275D+01 -0.331552D+01  0.378297D+01  0.810502D+01  0.193708D+01
      5  -0.475183D+00  0.526654D+01  0.342021D+02 -0.169887D+01  0.201045D+02
      6   0.507976D+01 -0.182075D+01 -0.239659D+00  0.396112D+01  0.123064D+01
               166           167           168           169           170 
      1  -0.842410D+01  0.367493D+01 -0.193081D+01  0.859836D+01  0.194709D+00
      2   0.561541D+01 -0.649471D+00  0.337878D+01 -0.914490D+01  0.100253D+01
      3   0.280869D+01 -0.302546D+01 -0.144797D+01  0.546542D+00 -0.119724D+01
      4   0.727423D+01 -0.580010D+00  0.275106D+01  0.114258D+01  0.129491D+01
      5  -0.614291D+01  0.378362D+01 -0.465765D+01  0.157315D+02 -0.179705D+01
      6   0.325762D+01 -0.323378D+00  0.241464D+01  0.573322D+00  0.191469D+01
               171 
      1   0.585914D+01
      2  -0.902666D+01
      3   0.316751D+01
      4  -0.520107D+00
      5   0.108262D+02
      6  -0.965142D-01
 Leave Link  716 at Thu Aug 12 20:08:13 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.839288D+02  0.126878D+01 -0.162665D+01
      2   0.126878D+01  0.857446D+02  0.140936D+01
      3  -0.162665D+01  0.140936D+01  0.757690D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.168520D+01 -0.382383D+01 -0.116256D+01
      2   0.161540D+02 -0.223255D+01  0.259888D+02
      3   0.136454D+02 -0.270249D+02  0.235744D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.751860D+02 -0.295450D+02  0.295759D+02
      2  -0.387924D+02  0.134656D+02 -0.243303D+02
      3  -0.363937D+02  0.160794D+02 -0.524561D+01
      4  -0.186483D+02  0.341204D+02  0.519327D+01
      5   0.203329D+02  0.477883D+01  0.416565D+02
      6   0.887607D+01 -0.166547D+02  0.950212D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.664745D+01  0.216709D+01 -0.398521D+01  0.280024D+01  0.100061D+01
      2   0.216709D+01  0.120080D+01  0.544818D-01  0.100061D+01 -0.678513D+01
      3  -0.398521D+01  0.544818D-01  0.201679D+01  0.287888D+00 -0.106038D+01
                 6             7             8             9            10 
      1   0.287888D+00 -0.279303D+01  0.119315D+00  0.253220D+01  0.608269D+01
      2  -0.106038D+01  0.119315D+00  0.153310D+00  0.328952D+01 -0.358798D+01
      3   0.285917D+01  0.253220D+01  0.328952D+01  0.672014D+00  0.337575D+01
                11            12            13            14            15 
      1  -0.358798D+01  0.337575D+01 -0.505932D+01 -0.244507D+01  0.873082D+00
      2  -0.115246D+01  0.170278D+00 -0.244507D+01  0.426686D+01  0.118665D+01
      3   0.170278D+00 -0.291278D+01  0.873082D+00  0.118665D+01 -0.426413D+01
                16            17            18            19            20 
      1   0.625205D+01  0.340817D+00 -0.373107D+01 -0.532834D+01  0.565764D+01
      2   0.340817D+00  0.129597D+01 -0.485345D+01  0.565764D+01  0.245492D+01
      3  -0.373107D+01 -0.485345D+01 -0.995963D+00 -0.252457D+01 -0.132023D+01
                21            22            23            24            25 
      1  -0.252457D+01  0.280235D+01  0.169484D+01 -0.861645D-01 -0.375146D+01
      2  -0.132023D+01  0.169484D+01 -0.155218D+01  0.810402D+00 -0.203439D+01
      3   0.122576D+01 -0.861645D-01  0.810402D+00  0.312741D+01  0.189176D+01
                26            27            28            29            30 
      1  -0.203439D+01  0.189176D+01 -0.111236D+01 -0.300148D+01  0.321076D+00
      2  -0.196302D+01  0.398251D+01 -0.300148D+01  0.165746D+00  0.148489D+01
      3   0.398251D+01  0.393665D+01  0.321076D+00  0.148489D+01  0.184790D-01
                31            32            33            34            35 
      1  -0.298891D+01 -0.119923D+01  0.280093D+01 -0.234945D+01  0.229666D+01
      2  -0.119923D+01 -0.980540D+00  0.143207D+01  0.229666D+01  0.102624D+01
      3   0.280093D+01  0.143207D+01 -0.348334D+01  0.934078D+00 -0.237786D+01
                36            37            38            39            40 
      1   0.934078D+00  0.374089D+01  0.172956D+01 -0.303164D+01  0.126873D+01
      2  -0.237786D+01  0.172956D+01  0.259648D+01 -0.184624D+01  0.174463D+01
      3  -0.310394D+01 -0.303164D+01 -0.184624D+01  0.121457D+01 -0.233582D+01
                41            42            43            44            45 
      1   0.174463D+01 -0.233582D+01 -0.441014D+01 -0.342264D+01  0.565704D+00
      2  -0.261695D+01 -0.270925D+01 -0.342264D+01 -0.462056D+01 -0.124810D+00
      3  -0.270925D+01  0.735295D+00  0.565704D+00 -0.124810D+00 -0.262709D+01
                46            47            48            49            50 
      1  -0.682187D+01  0.340580D+01 -0.215512D+01  0.220130D+01  0.206594D+01
      2   0.340580D+01  0.162186D+01  0.137475D+00  0.206594D+01 -0.324946D+01
      3  -0.215512D+01  0.137475D+00  0.288837D+01 -0.222420D+00 -0.413563D+00
                51            52            53            54            55 
      1  -0.222420D+00 -0.264827D+01  0.154791D-01  0.243189D+01  0.444428D+01
      2  -0.413563D+00  0.154791D-01  0.143354D+00  0.482129D+01 -0.271158D+01
      3   0.385647D+01  0.243189D+01  0.482129D+01  0.335832D+01  0.282381D+01
                56            57            58            59            60 
      1  -0.271158D+01  0.282381D+01 -0.150769D+01  0.468269D+00 -0.393020D+00
      2   0.113226D+01 -0.646783D-01  0.468269D+00  0.328238D+01 -0.147789D+01
      3  -0.646783D-01  0.152294D+01 -0.393020D+00 -0.147789D+01 -0.140999D+01
                61            62            63            64            65 
      1   0.295197D+01 -0.512269D+00  0.181580D+01 -0.347618D+01  0.197341D+01
      2  -0.512269D+00 -0.177758D+01 -0.104469D+01  0.197341D+01 -0.169445D+01
      3   0.181580D+01 -0.104469D+01 -0.336481D+01  0.299246D+01 -0.736876D+00
                66            67            68            69            70 
      1   0.299246D+01  0.321048D+01 -0.115155D+01 -0.137580D+01  0.484189D+01
      2  -0.736876D+00 -0.115155D+01  0.385759D+01  0.147729D+01 -0.580285D+00
      3  -0.175805D+01 -0.137580D+01  0.147729D+01  0.270410D+01 -0.298844D+01
                71            72            73            74            75 
      1  -0.580285D+00 -0.298844D+01  0.346111D+00 -0.798831D+00 -0.992096D+00
      2   0.299528D+01  0.189079D+01 -0.798831D+00 -0.252850D+00 -0.132015D-01
      3   0.189079D+01  0.787447D+01 -0.992096D+00 -0.132015D-01 -0.597710D+00
                76            77            78            79            80 
      1  -0.113567D+01 -0.301970D+00 -0.214223D+00 -0.101825D+01  0.159807D+00
      2  -0.301970D+00 -0.798107D+00 -0.162661D+01  0.159807D+00 -0.167493D+01
      3  -0.214223D+00 -0.162661D+01 -0.205240D+01 -0.991384D+00 -0.164743D+01
                81            82            83            84            85 
      1  -0.991384D+00  0.326903D+01  0.155187D+01 -0.257275D+01  0.263692D+01
      2  -0.164743D+01  0.155187D+01  0.170109D+01 -0.747834D+00  0.175064D+01
      3  -0.772237D+01 -0.257275D+01 -0.747834D+00  0.267274D+01 -0.966875D+00
                86            87            88            89            90 
      1   0.175064D+01 -0.966875D+00 -0.378079D+01 -0.781951D+00  0.288075D+01
      2   0.141044D+01 -0.150999D+01 -0.781951D+00 -0.187577D+01  0.190227D+01
      3  -0.150999D+01  0.204687D+01  0.288075D+01  0.190227D+01 -0.401081D+01
                91            92            93            94            95 
      1  -0.583629D+01 -0.423621D+01  0.177056D+01 -0.254466D+01 -0.275820D+01
      2  -0.423621D+01 -0.440304D+01  0.136901D+01 -0.275820D+01 -0.429089D+01
      3   0.177056D+01  0.136901D+01 -0.156407D+01  0.903686D+00  0.999903D+00
                96            97            98            99           100 
      1   0.903686D+00  0.374058D+01  0.300091D+01 -0.224921D+01 -0.498092D+01
      2   0.999903D+00  0.300091D+01  0.347226D+01 -0.193055D+01  0.332893D+01
      3  -0.104350D+01 -0.224921D+01 -0.193055D+01  0.182070D+01 -0.293214D+01
               101           102           103           104           105 
      1   0.332893D+01 -0.293214D+01  0.218781D+01 -0.163644D+01  0.823883D+00
      2  -0.267999D+01  0.162226D+01 -0.163644D+01  0.242191D+01 -0.100219D+01
      3   0.162226D+01 -0.215811D+01  0.823883D+00 -0.100219D+01  0.802140D+00
               106           107           108           109           110 
      1  -0.385814D+01  0.160018D+01 -0.222295D+01 -0.218690D-01  0.711632D+00
      2   0.160018D+01 -0.216869D+01  0.160666D+01  0.711632D+00 -0.394297D+00
      3  -0.222295D+01  0.160666D+01 -0.245840D+01  0.606684D-01 -0.533107D+00
               111           112           113           114           115 
      1   0.606684D-01  0.938143D+00 -0.403568D+00 -0.610036D+00  0.123473D+01
      2  -0.533107D+00 -0.403568D+00  0.290643D+01  0.106256D+01 -0.573682D+00
      3   0.670325D-01 -0.610036D+00  0.106256D+01  0.203323D+01 -0.126771D+00
               116           117           118           119           120 
      1  -0.573682D+00 -0.126771D+00  0.922008D-01 -0.870599D+00 -0.778233D+00
      2   0.326803D+01  0.178223D+01 -0.870599D+00 -0.981713D+00 -0.552710D+00
      3   0.178223D+01  0.367565D+01 -0.778233D+00 -0.552710D+00 -0.119634D+01
               121           122           123           124           125 
      1  -0.644301D+00 -0.286520D+00 -0.114763D+00 -0.116954D+01  0.119302D+00
      2  -0.286520D+00 -0.240716D+01 -0.202191D+01  0.119302D+00 -0.346538D+01
      3  -0.114763D+00 -0.202191D+01 -0.242140D+01 -0.572900D+00 -0.359326D+01
               126           127           128           129           130 
      1  -0.572900D+00  0.938479D+01 -0.362940D+01  0.915055D+00 -0.165994D+01
      2  -0.359326D+01 -0.362940D+01  0.274619D+01 -0.148394D+00  0.160704D+01
      3  -0.656771D+01  0.915055D+00 -0.148394D+00  0.103521D+01 -0.108627D+00
               131           132           133           134           135 
      1   0.160704D+01 -0.108627D+00  0.131873D+01 -0.508069D+00  0.984376D+00
      2  -0.112709D+01  0.196669D+00 -0.508069D+00  0.583469D+00 -0.945971D+00
      3   0.196669D+00 -0.472341D+00  0.984376D+00 -0.945971D+00  0.134853D+00
               136           137           138           139           140 
      1  -0.150564D+01 -0.112033D+01  0.121353D+01 -0.110454D+01 -0.907005D+00
      2  -0.112033D+01 -0.206560D+01  0.766246D+00 -0.907005D+00 -0.289446D+01
      3   0.121353D+01  0.766246D+00 -0.167788D+01  0.527725D+00  0.137432D+01
               141           142           143           144           145 
      1   0.527725D+00  0.167857D+01  0.462898D+00 -0.119447D+01  0.650014D+00
      2   0.137432D+01  0.462898D+00  0.276024D+01 -0.217989D+01  0.874334D+00
      3  -0.171647D+01 -0.119447D+01 -0.217989D+01  0.259961D+01  0.428300D+00
               146           147           148           149           150 
      1   0.874334D+00  0.428300D+00  0.138376D+01  0.313349D+00  0.544173D+00
      2  -0.123483D+00 -0.400997D-01  0.313349D+00  0.884685D+01  0.167248D+01
      3  -0.400997D-01 -0.365085D+00  0.544173D+00  0.167248D+01  0.177255D+01
               151           152           153           154           155 
      1   0.824807D-01  0.689638D-01 -0.316520D+00 -0.164860D+01 -0.777234D+00
      2   0.689638D-01  0.586026D+00  0.746899D+00 -0.777234D+00 -0.107872D+01
      3  -0.316520D+00  0.746899D+00  0.340603D+00  0.150716D+01  0.420046D+00
               156           157           158           159           160 
      1   0.150716D+01 -0.117486D+01 -0.638459D+00  0.285137D+00  0.172068D+01
      2   0.420046D+00 -0.638459D+00 -0.446639D+00  0.111489D+01  0.376957D+00
      3  -0.274934D+01  0.285137D+00  0.111489D+01 -0.213735D+01 -0.129905D+01
               161           162           163           164           165 
      1   0.376957D+00 -0.129905D+01  0.936951D+01 -0.666612D+00  0.356338D+01
      2   0.107479D+01 -0.916849D+00 -0.666612D+00  0.120725D+01 -0.213136D-01
      3  -0.916849D+00  0.495676D+01  0.356338D+01 -0.213136D-01  0.231749D+01
               166           167           168           169           170 
      1  -0.160985D+01  0.108268D+01 -0.618758D+00  0.195740D+01 -0.148004D+00
      2   0.108268D+01  0.156147D+00  0.494557D+00 -0.148004D+00  0.186975D+00
      3  -0.618758D+00  0.494557D+00 -0.936320D+00  0.165621D+01 -0.407421D+00
               171 
      1   0.165621D+01
      2  -0.407421D+00
      3   0.148148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.625801D+01  0.169856D+01 -0.119606D+01  0.373923D+00 -0.110697D+02
      2   0.388765D+00 -0.237446D+01  0.135636D+02 -0.264015D+01 -0.361820D+01
      3  -0.894011D+01 -0.317621D+01 -0.341539D+01  0.167366D+01  0.134849D+02
                 6             7             8             9            10 
      1  -0.720895D+01 -0.138768D+01 -0.793211D+00  0.373608D+01  0.151320D+01
      2   0.531104D+01  0.766037D+01  0.638169D+01 -0.216283D+01  0.116053D+02
      3   0.202653D+01 -0.232785D+01 -0.488458D+00 -0.423352D+01  0.524798D+01
                11            12            13            14            15 
      1  -0.140255D+00 -0.510519D+00 -0.151066D+01 -0.905000D+00 -0.340838D+01
      2   0.137463D+00 -0.272290D+00 -0.382277D+01  0.763097D+00 -0.419872D+01
      3  -0.540874D+00 -0.218441D+01  0.583915D+01 -0.783389D+01  0.983432D+00
                16            17            18            19            20 
      1  -0.532987D+00  0.288591D+01  0.103403D+01 -0.384847D+01 -0.334711D+01
      2  -0.344621D+01 -0.478321D+01 -0.363470D+01 -0.647693D+01  0.927525D+00
      3   0.341366D+01  0.676692D+00  0.547489D+01 -0.726664D+00 -0.123036D+01
                21            22            23            24            25 
      1  -0.436154D+00 -0.105199D+01  0.534587D+01 -0.279534D+01  0.741532D+00
      2   0.112785D+01  0.117532D+01 -0.104864D+01  0.226496D+01 -0.105503D+02
      3   0.182872D+01  0.255010D+01 -0.123697D+01  0.167543D+01 -0.203228D+01
                26            27            28            29            30 
      1   0.384111D+01 -0.537625D+01  0.152634D+01  0.533007D+01  0.278407D+01
      2  -0.517998D+00  0.248104D+00 -0.104143D+02 -0.438446D+01  0.253915D+01
      3   0.603226D+00  0.897835D+00 -0.908651D+01 -0.460766D+01  0.103707D+01
                31            32            33            34            35 
      1   0.270276D+01 -0.601102D+01 -0.143496D+01  0.101591D+01  0.252953D-01
      2   0.229320D+01  0.217035D+01 -0.119700D+01 -0.501782D+01 -0.205909D+01
      3   0.232933D+01  0.568258D+01 -0.531785D+01 -0.642305D+01 -0.132161D+02
                36            37            38            39            40 
      1   0.434101D+01 -0.333374D+01 -0.102109D+01  0.573740D-01 -0.894691D+00
      2   0.122628D+02  0.517505D+01  0.420028D+01 -0.542928D+00 -0.622315D+00
      3   0.106807D+00 -0.585368D+00  0.826205D+00  0.259658D+00  0.630407D+01
                41            42            43            44            45 
      1   0.162446D+00 -0.460367D+01  0.374464D+01  0.479983D+01 -0.539518D+01
      2   0.378517D+01  0.304972D+00 -0.480070D+01  0.536077D+00  0.520790D+01
      3  -0.605361D+01 -0.203020D+01  0.160676D+01 -0.804569D+00 -0.299777D+01
                46            47            48            49            50 
      1  -0.538712D+01 -0.639064D+00  0.554688D+01 -0.111773D+01  0.115478D+01
      2  -0.687460D+01  0.890731D+00  0.588383D+01  0.205750D+00  0.308787D+00
      3   0.595626D+01 -0.136397D+02  0.368959D+01 -0.692521D+01  0.251002D+01
                51            52            53            54            55 
      1   0.609858D+01  0.329308D+01  0.126551D+02  0.529899D+01 -0.375932D+01
      2   0.634528D+01  0.131366D+01  0.838256D+01  0.623984D+01  0.574143D+01
      3   0.804278D+00  0.458032D+01 -0.263396D-01 -0.134339D+02  0.101829D+02
                56            57            58            59            60 
      1   0.116191D+01 -0.561084D+01  0.825050D-01 -0.188049D+01  0.366165D+00
      2  -0.160994D+01  0.517797D+01 -0.138395D+00  0.216747D+01 -0.349770D+00
      3  -0.112956D+02  0.720724D+01  0.139202D+01  0.347062D+01 -0.121885D+01
                61            62            63            64            65 
      1  -0.539267D+01  0.101595D+02  0.100109D+02  0.471657D+00 -0.431658D+01
      2   0.646275D+00  0.937326D+00  0.204979D+01  0.237357D+00  0.245304D+01
      3   0.464626D+01 -0.190812D+01  0.474871D+01  0.335838D+01 -0.566915D+01
                66            67            68            69            70 
      1   0.156452D+00 -0.102747D+01  0.306074D+01 -0.137651D+01 -0.211579D+00
      2   0.516195D+01  0.649085D+00 -0.444494D+01 -0.213950D+01 -0.207563D+01
      3  -0.138853D+01  0.190876D+01  0.473463D+01  0.433790D+01  0.535316D+01
                71            72            73            74            75 
      1   0.736854D+01  0.564392D-01  0.113634D+01  0.432731D+00  0.452116D+00
      2  -0.310414D+01 -0.142628D+02  0.875725D-01 -0.495805D+00 -0.744539D-01
      3   0.930336D+01  0.232449D+01 -0.541124D-01 -0.130799D+01 -0.879611D+00
                76            77            78            79            80 
      1   0.223183D+00  0.202150D+01  0.116702D+01 -0.149358D+00  0.517689D+01
      2  -0.161903D+01 -0.119986D+00 -0.198680D+00 -0.299964D+01  0.393850D+00
      3   0.147200D+01 -0.422928D+00 -0.790662D+00  0.617846D+00 -0.360806D+00
                81            82            83            84            85 
      1   0.309914D+01 -0.683214D+00 -0.180030D+01 -0.256853D+00 -0.350081D+00
      2  -0.179760D+00 -0.107667D+01 -0.150055D+00  0.417079D+01  0.189189D+01
      3  -0.118286D+01 -0.140852D+01 -0.418523D+01  0.743891D+00  0.842199D+00
                86            87            88            89            90 
      1  -0.886055D+00 -0.921454D+00 -0.168590D+00  0.259206D+01 -0.168550D+00
      2  -0.924966D+00  0.292610D+01 -0.142262D+01  0.234581D+01 -0.427843D+01
      3  -0.226554D+01  0.171119D+01 -0.143740D+01  0.321753D+01 -0.177383D+01
                91            92            93            94            95 
      1   0.366957D+01  0.229687D+01 -0.350776D+01  0.272031D+01  0.274292D+01
      2  -0.289564D+01 -0.311781D+01  0.387125D+01 -0.213092D+01 -0.303940D+01
      3   0.191184D+01 -0.291541D+01 -0.749665D+00  0.759192D+00 -0.315662D+01
                96            97            98            99           100 
      1  -0.240584D+01 -0.323946D+01 -0.175270D+01  0.346792D+01  0.320475D+01
      2   0.285017D+01  0.323785D+01  0.358760D+01 -0.481112D+01 -0.582389D+01
      3   0.397421D+00 -0.672273D+00  0.328677D+01 -0.533630D+00 -0.112839D+02
               101           102           103           104           105 
      1  -0.144458D-01  0.407142D+01 -0.341402D+00 -0.565171D+00 -0.141486D+01
      2   0.252811D+01 -0.511222D+00  0.216853D+01 -0.146406D+01  0.185338D+00
      3   0.458099D+01 -0.640795D+01  0.584003D+01 -0.249646D+01  0.166765D+01
               106           107           108           109           110 
      1   0.312836D+01 -0.482122D-01  0.289498D+01 -0.103215D+01  0.112529D+01
      2  -0.447979D+01  0.113513D+01 -0.102914D+01 -0.597260D-01  0.435208D+00
      3  -0.900407D+01  0.244492D+01 -0.450023D+01  0.882428D-02 -0.904296D-01
               111           112           113           114           115 
      1   0.892817D+00  0.173943D+01 -0.566808D+01 -0.646945D+01  0.133284D+01
      2  -0.820382D-01  0.489844D+00 -0.109029D+01 -0.127700D+01 -0.150863D+01
      3   0.819617D+00  0.211998D+01 -0.677650D+00 -0.643657D+00  0.431740D+01
               116           117           118           119           120 
      1  -0.605485D+01 -0.132246D+02 -0.703433D+00  0.245260D+00 -0.248777D+01
      2  -0.134233D+01 -0.150012D+01 -0.166983D+01 -0.112636D+01 -0.157119D+01
      3   0.402354D-01 -0.131921D+00  0.225440D+01  0.233943D+01  0.204313D+01
               121           122           123           124           125 
      1  -0.502093D-01 -0.174314D+01 -0.513934D+01 -0.173080D+01 -0.165184D+01
      2  -0.120001D+01 -0.342452D+01 -0.395317D+01 -0.426525D+01 -0.519377D+01
      3   0.338743D+01  0.442068D+01  0.394763D+01  0.316005D+01  0.556115D+01
               126           127           128           129           130 
      1  -0.110313D+02  0.320313D+01 -0.935876D+00  0.284736D+01 -0.101676D+01
      2  -0.104711D+02  0.485905D+01 -0.130776D+01  0.499571D+01 -0.622494D+00
      3   0.779252D+01 -0.110376D+02 -0.223825D+01 -0.165607D+01  0.234504D+01
               131           132           133           134           135 
      1   0.816101D+00 -0.197307D+01  0.153204D+01 -0.728636D+00  0.835351D+00
      2   0.119585D+01 -0.146641D+01  0.118510D+01 -0.173336D+01  0.978470D+00
      3  -0.453641D+00 -0.290504D+00 -0.195551D+01 -0.767475D+00  0.587455D+00
               136           137           138           139           140 
      1   0.291504D+01  0.137067D+01 -0.431443D+01  0.166815D+01  0.320976D+01
      2   0.295607D+01  0.980009D+00 -0.159160D+01  0.137730D+01  0.210127D+01
      3   0.716903D+01  0.486596D+01 -0.414398D+01  0.624337D+01  0.644117D+01
               141           142           143           144           145 
      1  -0.541190D+01 -0.279186D+01 -0.269420D+01  0.630171D+01  0.770258D+00
      2  -0.226254D+01 -0.380329D+01 -0.331914D+01  0.342970D+01  0.107268D+01
      3  -0.418326D+01 -0.561790D+01 -0.527440D+01  0.656020D+01 -0.123721D+01
               146           147           148           149           150 
      1  -0.104175D+01  0.726266D+00 -0.136883D+01  0.119577D+02 -0.274342D+01
      2  -0.981478D+00 -0.586199D+00 -0.165060D+01  0.370951D+01  0.269045D+01
      3   0.714178D+00  0.587690D-01  0.432545D+01 -0.163809D+02 -0.158958D+01
               151           152           153           154           155 
      1   0.877072D+00  0.852012D+00  0.731365D+00 -0.246005D+01 -0.303345D+01
      2  -0.185759D+01  0.127964D+01  0.597635D+00  0.841829D+01  0.249737D+01
      3  -0.192923D+00 -0.504159D+00 -0.199250D+01  0.483436D+00  0.439957D+00
               156           157           158           159           160 
      1   0.203402D+01 -0.118870D+01 -0.191068D+01  0.167788D+01  0.202119D+01
      2  -0.643449D+01  0.314014D+01  0.303545D+01 -0.406287D+01 -0.813485D+01
      3   0.494975D+00  0.150942D+01 -0.109963D-01 -0.150164D+01  0.270821D+00
               161           162           163           164           165 
      1   0.455220D+01 -0.462061D+01 -0.346078D+01  0.262854D+01 -0.124838D+01
      2  -0.283822D+01  0.107057D+02 -0.606244D+01  0.120421D+01  0.305787D+01
      3  -0.787191D+00  0.384912D+00  0.715238D+01 -0.574250D+01  0.193798D+01
               166           167           168           169           170 
      1   0.122061D+01 -0.538306D+00  0.113878D+00 -0.144709D+01  0.168795D+01
      2   0.105561D+01 -0.619427D-01 -0.177264D+01 -0.164479D+01 -0.723190D+00
      3  -0.195219D+01  0.879337D+00 -0.798449D+00  0.169698D+01 -0.996302D+00
               171 
      1  -0.128645D+01
      2   0.142330D+01
      3   0.190229D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.291221D+02  0.979628D+01 -0.249527D+02  0.121979D+02  0.115509D+02
      2   0.246261D+02 -0.356990D+01  0.532330D+01 -0.626973D+01 -0.173690D+02
      3   0.449603D+01 -0.622637D+01  0.196294D+02 -0.592820D+01  0.581816D+01
      4   0.404823D+01  0.556161D+01 -0.125346D+01  0.478918D+01 -0.217794D+02
      5  -0.264724D+02  0.523100D+01 -0.378850D+01  0.737337D+01 -0.164056D+01
      6   0.231685D+01  0.285055D+01 -0.190313D+00  0.164878D+01 -0.108580D+02
                 6             7             8             9            10 
      1  -0.225661D+01 -0.185331D+02 -0.293219D+01  0.662887D+01  0.869470D+01
      2  -0.871714D+01  0.408801D+01 -0.656336D+01 -0.156857D+01 -0.377949D+01
      3   0.109738D+02  0.144451D+02  0.949554D+01 -0.506031D+01 -0.491520D+01
      4  -0.292547D+01 -0.145898D+00  0.773948D+00  0.119927D+02 -0.134365D+02
      5   0.743962D+01 -0.110173D+01  0.920046D+01  0.752554D+01  0.182478D+02
      6   0.104267D+01  0.185879D+01  0.317500D+00  0.827136D+01  0.587892D+01
                11            12            13            14            15 
      1  -0.135372D+02  0.147537D+02 -0.102573D+02 -0.249705D+01  0.315235D+01
      2   0.124701D+02 -0.827736D+01  0.116274D+02 -0.415222D+01 -0.964077D+00
      3   0.106711D+01 -0.647633D+01 -0.137006D+01  0.664928D+01 -0.218827D+01
      4  -0.237561D+01  0.226585D+01 -0.526774D+01  0.128466D+02  0.489512D+01
      5   0.292842D+01 -0.104297D+02 -0.593350D+00  0.781390D+01 -0.131436D+02
      6  -0.124122D+01 -0.488123D+00  0.173890D+01 -0.290514D+01 -0.170009D+01
                16            17            18            19            20 
      1   0.112195D+02  0.118021D+01 -0.130036D+02 -0.133480D+02 -0.839140D+01
      2  -0.769445D+01 -0.289990D+01  0.959754D+01  0.990017D+01  0.890817D+01
      3  -0.352504D+01  0.171969D+01  0.340603D+01  0.344782D+01 -0.516768D+00
      4  -0.214405D+01 -0.125989D+01 -0.135574D+02 -0.189633D+00 -0.473274D+01
      5  -0.123239D+02 -0.140831D+02  0.703814D+00 -0.687999D+01 -0.230110D+00
      6  -0.286993D+01  0.953807D+00  0.906019D+00 -0.786632D+01 -0.557305D+01
                21            22            23            24            25 
      1   0.415787D+01  0.280276D+01  0.971178D+01  0.252320D+01  0.135238D+01
      2   0.118625D+01 -0.146683D+01 -0.127593D+02  0.689980D+01  0.140848D+01
      3  -0.534412D+01 -0.133592D+01  0.304749D+01 -0.942300D+01 -0.276086D+01
      4   0.496161D+00 -0.105428D+02 -0.468811D+01  0.263590D+01  0.734656D+01
      5   0.371317D-01  0.593313D+01 -0.516796D+00  0.392494D+00  0.238641D+01
      6   0.250723D+01  0.273309D+01  0.104521D+02 -0.827908D+01 -0.153261D-01
                26            27            28            29            30 
      1   0.872411D+01  0.772605D+01  0.103003D+01  0.337809D+01 -0.168320D+01
      2   0.370473D+01  0.111151D+02  0.103660D+01 -0.314638D+01 -0.736842D+01
      3  -0.124288D+02 -0.188412D+02 -0.206662D+01 -0.231706D+00  0.905162D+01
      4   0.397252D+01 -0.217435D+01  0.643010D+01  0.649466D+00 -0.915191D+01
      5  -0.202156D+01 -0.478302D+01  0.425345D+01 -0.787274D+01 -0.373400D+01
      6   0.202650D+01 -0.562944D+01 -0.371464D+01 -0.231091D+01  0.208357D+01
                31            32            33            34            35 
      1   0.843156D+01  0.621668D+01 -0.776978D+01  0.978781D+01 -0.501466D+01
      2  -0.730781D+01 -0.101882D+02  0.100853D+02 -0.100594D+02 -0.234623D+01
      3  -0.112375D+01  0.397153D+01 -0.231554D+01  0.271626D+00  0.736088D+01
      4  -0.147375D+01  0.167752D+00 -0.668949D+01 -0.135455D+02  0.259763D+01
      5  -0.201313D+02 -0.610335D+01  0.559131D+01 -0.118743D+02  0.440097D+01
      6  -0.591255D+01 -0.896364D+01 -0.403434D+00 -0.263966D+00 -0.276908D+01
                36            37            38            39            40 
      1  -0.136151D+01 -0.340508D+01 -0.228700D+01  0.891437D+01 -0.570315D+01
      2   0.910183D+01 -0.325471D+00 -0.139440D+01 -0.189402D+01  0.298549D+01
      3  -0.774032D+01  0.373055D+01  0.368140D+01 -0.702035D+01  0.271766D+01
      4   0.625344D+01 -0.951372D+01 -0.594540D+01  0.130990D+02  0.208452D+01
      5   0.191384D+02  0.133110D+02  0.920082D+01  0.153584D+01  0.125277D+02
      6  -0.358160D+01  0.873213D+01  0.793505D+01 -0.190485D+01  0.759314D+01
                41            42            43            44            45 
      1  -0.177340D+02  0.449086D+01  0.129023D+02  0.705657D+01 -0.487395D+01
      2   0.258486D+02  0.363274D+00 -0.185798D+01  0.325656D+01 -0.314430D+00
      3  -0.811463D+01 -0.485413D+01 -0.110443D+02 -0.103131D+02  0.518838D+01
      4   0.777015D+01  0.118465D+02  0.206843D+02  0.186230D+02 -0.122409D+01
      5   0.124027D+02  0.196728D+01  0.259447D+01  0.248930D+01  0.111085D+02
      6   0.101278D+02  0.601866D+01 -0.131644D+01  0.704407D+01  0.871744D+01
                46            47            48            49            50 
      1  -0.282799D+02  0.228093D+02 -0.904609D+01  0.145060D+02  0.123661D+01
      2   0.708552D+01 -0.160386D+02  0.786788D+01 -0.123078D+02  0.105121D+02
      3   0.211944D+02 -0.677073D+01  0.117821D+01 -0.219818D+01 -0.117487D+02
      4   0.282991D+02 -0.641042D+01  0.675632D+01 -0.327420D+01 -0.137392D+02
      5  -0.571764D+01  0.656630D+00  0.886738D+01  0.553594D+00 -0.394974D+01
      6   0.545946D+01  0.193431D+01 -0.115471D+02  0.235330D-03  0.292872D+01
                51            52            53            54            55 
      1   0.146361D+01 -0.102256D+02  0.284605D+01  0.222375D+02  0.950994D+01
      2   0.466689D+01  0.739100D+01  0.491699D+01 -0.147045D+02 -0.460060D+01
      3  -0.613050D+01  0.283464D+01 -0.776304D+01 -0.753298D+01 -0.490934D+01
      4  -0.899771D+00  0.807824D+01  0.162261D+01  0.504302D+01  0.162511D+02
      5   0.105264D+02  0.779368D+01  0.124381D+02  0.932781D+01 -0.103371D+02
      6  -0.148992D+02 -0.797515D+01 -0.172670D+02 -0.121610D+02  0.136772D+02
                56            57            58            59            60 
      1   0.354186D+01 -0.429970D+01 -0.102857D+01 -0.181882D+02  0.556606D+01
      2  -0.166135D+00  0.529159D+01  0.456855D+01  0.297687D+02 -0.107045D+02
      3  -0.337572D+01 -0.991888D+00 -0.353998D+01 -0.115805D+02  0.513846D+01
      4  -0.562261D+01  0.973233D+01  0.285087D+01  0.789431D+01 -0.204499D+01
      5   0.619730D+01 -0.476077D+01  0.198314D+01 -0.236028D+01  0.118841D+01
      6  -0.229799D+01  0.683864D+01 -0.426916D+01 -0.160825D+02  0.299089D+01
                61            62            63            64            65 
      1  -0.327056D+00  0.794266D+01 -0.585734D+01  0.223309D+02 -0.321933D+01
      2   0.442678D+01 -0.114159D+02 -0.961052D+01 -0.166150D+02  0.113271D+01
      3  -0.409973D+01  0.347322D+01  0.154679D+02 -0.571585D+01  0.208662D+01
      4   0.783873D+01  0.990390D+00  0.917215D+01 -0.963763D+01  0.117578D+02
      5  -0.231675D+01  0.394888D+01 -0.393374D+01 -0.171652D+02  0.661025D+01
      6   0.919813D+01 -0.311874D+00 -0.143668D+02  0.362000D+01 -0.152466D+01
                66            67            68            69            70 
      1  -0.925385D+01 -0.860758D+01 -0.274644D+01  0.226378D+01 -0.114741D+02
      2   0.114445D+02  0.565785D+01  0.408337D+01 -0.625741D+01  0.115423D+02
      3  -0.219061D+01  0.294972D+01 -0.133693D+01  0.399364D+01 -0.682101D-01
      4   0.583316D+01  0.108681D+02 -0.119790D+02 -0.692818D+01  0.681195D+01
      5   0.161717D+02  0.100118D+02 -0.672469D+01 -0.819386D+01  0.222325D+02
      6  -0.377424D+01 -0.331622D+01  0.415950D+01  0.100783D+02 -0.202211D+01
                71            72            73            74            75 
      1  -0.272009D+01 -0.271823D+01  0.742694D+00  0.809093D+00 -0.783418D-01
      2   0.138479D+00 -0.231080D+02 -0.463484D+01 -0.111568D+01 -0.221626D+01
      3   0.258161D+01  0.258262D+02  0.389214D+01  0.306582D+00  0.229460D+01
      4  -0.113343D+02 -0.952324D+01  0.176748D+00  0.227115D+01  0.409917D+00
      5  -0.688258D+01 -0.307351D+02  0.260006D+01  0.138247D+01  0.720964D+01
      6   0.812122D+01  0.759095D+01  0.142149D+01  0.519412D-01  0.305972D+00
                76            77            78            79            80 
      1   0.299240D+00 -0.459378D+01 -0.497155D+01 -0.130472D+01 -0.292572D+01
      2  -0.869354D+00 -0.664465D+00 -0.365786D+01 -0.165214D+01 -0.482046D+01
      3   0.570114D+00  0.525824D+01  0.862941D+01  0.295686D+01  0.774618D+01
      4   0.214233D+01  0.177196D+00  0.373038D+00 -0.195033D+00  0.529828D+00
      5   0.214072D+00  0.727990D+00  0.192097D+01  0.517992D+01  0.115554D+01
      6   0.388254D+00  0.351207D+01  0.744203D+01 -0.980507D-01  0.610740D+01
                81            82            83            84            85 
      1  -0.182652D+02  0.177221D+02  0.669463D+01 -0.104346D+02  0.631622D+01
      2  -0.175236D+02 -0.118897D+02 -0.479353D+01  0.775056D+01 -0.367609D+01
      3   0.357888D+02 -0.583233D+01 -0.190110D+01  0.268409D+01 -0.264013D+01
      4   0.165385D+00  0.995656D+01  0.917167D+01 -0.502030D+01  0.977307D+01
      5   0.607269D+01 -0.166340D+02 -0.548749D+01  0.156629D+02 -0.587195D+01
      6   0.378319D+01 -0.384609D+01 -0.257539D+01  0.317920D+01 -0.401154D+01
                86            87            88            89            90 
      1   0.283499D+01 -0.255445D+01 -0.839460D+01 -0.188490D+01  0.506774D+01
      2  -0.826096D-01  0.124941D+01  0.897417D+01  0.376936D+01 -0.119412D+02
      3  -0.275238D+01  0.130505D+01 -0.579567D+00 -0.188447D+01  0.687345D+01
      4   0.739780D+01 -0.680780D+01 -0.417771D+01 -0.599945D+01  0.740138D+01
      5  -0.706513D+01  0.836685D+01  0.164957D+02  0.793182D+01 -0.195004D+02
      6  -0.466009D+01  0.640457D+01  0.358623D+01  0.531199D+01 -0.612691D+01
                91            92            93            94            95 
      1   0.232488D+02  0.135902D+02 -0.720081D+01  0.479828D+01  0.323998D+01
      2  -0.641482D+01 -0.107453D+01  0.219409D+01  0.323337D+01  0.731626D+01
      3  -0.168340D+02 -0.125157D+02  0.500672D+01 -0.803165D+01 -0.105562D+02
      4   0.265489D+02  0.227447D+02 -0.821194D+01  0.160496D+02  0.193602D+02
      5  -0.863760D+01 -0.588876D+01  0.717536D+01 -0.323857D+01 -0.374188D+01
      6  -0.540861D+01 -0.349350D+01  0.384801D+01 -0.298554D+01 -0.420765D+01
                96            97            98            99           100 
      1  -0.732787D+00 -0.107079D+02 -0.586757D+01  0.402116D+01  0.321065D+01
      2  -0.182670D+01  0.279467D+01 -0.152026D+01 -0.940482D+00  0.354111D-01
      3   0.255949D+01  0.791328D+01  0.738783D+01 -0.308068D+01 -0.324606D+01
      4  -0.561214D+01 -0.172448D+02 -0.166443D+02  0.107081D+02 -0.215643D+02
      5   0.357702D+01  0.108096D+02  0.858917D+01 -0.830323D+01  0.153837D+02
      6   0.400736D+01  0.770271D+01  0.815846D+01 -0.722315D+01 -0.151920D+02
               101           102           103           104           105 
      1   0.175319D+01 -0.467035D-01  0.703798D+00 -0.360558D+01  0.166852D+01
      2  -0.529426D+01 -0.125642D+01 -0.419841D+01  0.766675D+01 -0.268504D+01
      3   0.354108D+01  0.130312D+01  0.349461D+01 -0.406117D+01  0.101652D+01
      4   0.172609D+02 -0.128196D+02  0.130950D+02 -0.890132D+01  0.452854D+01
      5  -0.968905D+01  0.121625D+02 -0.547439D+01  0.491096D+01 -0.253960D+01
      6   0.105993D+02 -0.112978D+02  0.648829D+01 -0.738954D+01  0.624528D+01
               106           107           108           109           110 
      1  -0.387800D+00  0.314993D+01 -0.289461D+01 -0.116800D+01 -0.345119D+00
      2  -0.202265D+01 -0.216641D+01 -0.187646D+01  0.169037D+01 -0.281004D+01
      3   0.241045D+01 -0.983517D+00  0.477108D+01 -0.522374D+00  0.315516D+01
      4  -0.139380D+02  0.640818D+01 -0.875291D+01 -0.125597D+01  0.459798D+01
      5   0.124371D+02 -0.576378D+01  0.897142D+01 -0.179214D+00 -0.110294D+01
      6  -0.104605D+02  0.949725D+01 -0.104800D+02 -0.576403D+00 -0.232229D+01
               111           112           113           114           115 
      1   0.205884D+01 -0.688667D+00 -0.703253D+01 -0.124533D+01  0.172276D+00
      2  -0.246683D+01 -0.226105D+01  0.136505D+02  0.745639D+01 -0.250142D+01
      3   0.407993D+00  0.294972D+01 -0.661801D+01 -0.621106D+01  0.232914D+01
      4  -0.884276D-01  0.507253D+01 -0.453673D+01 -0.322687D+01  0.371106D+01
      5   0.240103D+01 -0.753800D+00 -0.136682D+01 -0.108955D+01  0.635322D+00
      6   0.396299D+00 -0.256726D+01  0.454871D+01  0.103438D+02 -0.731750D+00
               116           117           118           119           120 
      1  -0.706787D+01 -0.336862D+01  0.259571D+00 -0.610825D+01 -0.412638D+01
      2   0.146004D+02  0.985226D+01  0.273190D-02  0.487742D+01  0.133060D+01
      3  -0.753256D+01 -0.648363D+01 -0.262303D+00  0.123083D+01  0.279578D+01
      4  -0.547388D+01 -0.198607D+01 -0.198761D+01  0.193746D+01  0.174219D+01
      5  -0.857782D+00 -0.227000D+01 -0.676559D+00  0.258847D+00  0.766006D+00
      6   0.838887D+01  0.152288D+02  0.303747D+01  0.288483D+01  0.534734D+01
               121           122           123           124           125 
      1  -0.318551D+01 -0.107447D+02 -0.835402D+01 -0.402120D+01 -0.111859D+02
      2   0.237720D+01  0.110918D+02  0.714556D+01  0.108595D+01  0.874994D+01
      3   0.808307D+00 -0.347076D+00  0.120847D+01  0.293524D+01  0.243596D+01
      4   0.348920D+01 -0.455823D+01 -0.405579D+01  0.503226D+01 -0.837603D+01
      5   0.865937D+00 -0.508055D+01 -0.691716D+01  0.306070D+01 -0.102664D+02
      6   0.116175D+01  0.120288D+02  0.156709D+02  0.190847D+01  0.188630D+02
               126           127           128           129           130 
      1  -0.192760D+02  0.502522D+02 -0.134165D+02  0.438291D+01 -0.587024D+01
      2   0.210309D+01 -0.187241D+02 -0.697874D+00 -0.199875D+01 -0.236114D+01
      3   0.171729D+02 -0.315281D+02  0.141143D+02 -0.238416D+01  0.823138D+01
      4  -0.632454D+01 -0.402029D+02  0.232070D+02 -0.299633D+01  0.161050D+02
      5  -0.181319D+02  0.625695D+00  0.498930D+00  0.778354D+01  0.958636D-01
      6   0.275031D+02 -0.178720D+01 -0.400871D+00 -0.424678D+01  0.174922D+00
               131           132           133           134           135 
      1   0.512876D+01 -0.793629D-01  0.616922D+01 -0.173648D+01  0.273170D+01
      2   0.245394D+01 -0.111549D+01 -0.236523D+01 -0.124267D+01 -0.122692D+01
      3  -0.758271D+01  0.119486D+01 -0.380399D+01  0.297915D+01 -0.150478D+01
      4  -0.105161D+02  0.163535D+01 -0.614615D+01  0.397413D+01 -0.489543D+01
      5   0.775802D+00 -0.193280D+01  0.757173D+01 -0.402831D+01  0.147464D+01
      6  -0.625526D+00  0.352074D+01 -0.327917D+01  0.457087D+01 -0.340811D+00
               136           137           138           139           140 
      1  -0.210326D+01 -0.940117D+01  0.532635D+01 -0.677909D+01 -0.119557D+02
      2   0.416597D+01  0.109660D+02 -0.460834D+01  0.695851D+01  0.169940D+02
      3  -0.206270D+01 -0.156487D+01 -0.718004D+00 -0.179421D+00 -0.503828D+01
      4   0.271088D+01  0.118171D+01 -0.309006D+01  0.442589D+01 -0.197908D+01
      5   0.135179D+01  0.818724D+00 -0.261185D+01  0.121181D+01  0.274713D+01
      6  -0.482784D+01 -0.414136D+01  0.735035D+01 -0.325547D+01 -0.798465D+01
               141           142           143           144           145 
      1   0.610551D+01  0.625129D+01  0.888274D+01 -0.119668D+02  0.213099D+01
      2  -0.875549D+01 -0.430672D+01 -0.122743D+02  0.798699D+01 -0.124675D-01
      3   0.264997D+01 -0.194457D+01  0.339153D+01  0.397981D+01 -0.211853D+01
      4  -0.828065D-01 -0.556447D+01  0.367644D+01 -0.174780D+00  0.285057D+01
      5  -0.435619D+01 -0.124798D+01 -0.493036D+01  0.502057D+01  0.274962D+01
      6   0.101587D+02  0.504619D+01  0.116850D+02 -0.114869D+02  0.873274D+00
               146           147           148           149           150 
      1   0.278042D+01  0.304625D+01  0.372717D+01 -0.160025D+02 -0.348579D+01
      2  -0.143998D+01 -0.790883D+00 -0.161850D+01  0.287598D+02  0.147641D+01
      3  -0.134044D+01 -0.225537D+01 -0.210867D+01 -0.127573D+02  0.200938D+01
      4   0.467470D+01  0.411394D+00  0.748292D+01  0.292861D+02  0.673363D+01
      5   0.119094D+01  0.138133D+01  0.409231D+01  0.494706D+01  0.560369D+01
      6  -0.560581D+00 -0.247930D+00  0.179265D+01  0.201903D+02  0.965140D+01
               151           152           153           154           155 
      1   0.577842D+00 -0.332043D+01 -0.445817D+01 -0.296880D+01 -0.282199D+01
      2   0.803487D-01  0.154875D+01  0.232879D+01 -0.328478D+01 -0.442188D+00
      3  -0.658190D+00  0.177168D+01  0.212939D+01  0.625358D+01  0.326417D+01
      4  -0.286419D-01  0.141154D+01  0.171223D+01 -0.199810D+01 -0.228968D+01
      5   0.137989D+01  0.222062D+01  0.594752D+00 -0.165214D+01 -0.159500D+01
      6  -0.464123D+00  0.805216D+01  0.272244D+01 -0.155807D+01 -0.377525D+01
               156           157           158           159           160 
      1   0.113928D+02 -0.408459D+01 -0.565715D+01  0.520702D+01  0.942967D+01
      2   0.331378D+01  0.100468D+01  0.204552D+01  0.384107D+01  0.897609D+00
      3  -0.147066D+02  0.307992D+01  0.361163D+01 -0.904809D+01 -0.103273D+02
      4   0.135799D+01 -0.101511D+01 -0.374137D+00  0.224755D+01  0.248457D+01
      5  -0.165147D+00 -0.265652D+01  0.440597D+00 -0.374366D+01  0.448492D+01
      6   0.609917D+00 -0.228657D+01 -0.253845D+01  0.506085D+01  0.891485D+00
               161           162           163           164           165 
      1   0.373926D+01 -0.167408D+02  0.531677D+02 -0.393352D+01  0.149205D+02
      2   0.262208D+01 -0.107569D+02 -0.342141D+02  0.278322D+01 -0.137408D+02
      3  -0.636134D+01  0.274977D+02 -0.189536D+02  0.115030D+01 -0.117966D+01
      4   0.321275D+01 -0.331552D+01  0.378297D+01  0.810502D+01  0.193708D+01
      5  -0.475183D+00  0.526654D+01  0.342021D+02 -0.169887D+01  0.201045D+02
      6   0.507976D+01 -0.182075D+01 -0.239659D+00  0.396112D+01  0.123064D+01
               166           167           168           169           170 
      1  -0.842410D+01  0.367493D+01 -0.193081D+01  0.859836D+01  0.194709D+00
      2   0.561541D+01 -0.649471D+00  0.337878D+01 -0.914490D+01  0.100253D+01
      3   0.280869D+01 -0.302546D+01 -0.144797D+01  0.546542D+00 -0.119724D+01
      4   0.727423D+01 -0.580010D+00  0.275106D+01  0.114258D+01  0.129491D+01
      5  -0.614291D+01  0.378362D+01 -0.465765D+01  0.157315D+02 -0.179705D+01
      6   0.325762D+01 -0.323378D+00  0.241464D+01  0.573322D+00  0.191469D+01
               171 
      1   0.585914D+01
      2  -0.902666D+01
      3   0.316751D+01
      4  -0.520107D+00
      5   0.108262D+02
      6  -0.965142D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.818141D+02      0.121236D+02      0.134893D+02
   aniso      0.101697D+02      0.150700D+01      0.167676D+01
   xx         0.839288D+02      0.124370D+02      0.138380D+02
   yx         0.126878D+01      0.188014D+00      0.209194D+00
   yy         0.857446D+02      0.127060D+02      0.141374D+02
   zx        -0.162665D+01     -0.241045D+00     -0.268198D+00
   zy         0.140936D+01      0.208846D+00      0.232373D+00
   zz         0.757690D+02      0.112278D+02      0.124926D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.818141D+02      0.121236D+02      0.134893D+02
   aniso      0.101697D+02      0.150700D+01      0.167676D+01
   xx         0.840415D+02      0.124537D+02      0.138566D+02
   yx        -0.441843D+00     -0.654743D-01     -0.728500D-01
   yy         0.768874D+02      0.113935D+02      0.126770D+02
   zx        -0.618394D+00     -0.916365D-01     -0.101959D+00
   zy         0.395434D+01      0.585972D+00      0.651982D+00
   zz         0.845135D+02      0.125236D+02      0.139344D+02

 ----------------------------------------------------------------------
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 00217\\\@


 TO BEHOLD HARMS OF OUR OWN HANDS DOING,
 WHERE NONE BESIDE US WROUGHT,
 CAUSES SHARP RUING...

                                         SOPHOCLES
 Job cpu time:       0 days  3 hours 47 minutes 59.6 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 31.9 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:08:13 2021.
